A0A060VHJ3_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VHJ3, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 340 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	93.6	Very high	98.1	Very high	112 Å²	112	38.6 Å²	38.6	78%	0.783	21%	0.213	S	C	*	.				0	160.3	0	40.2	0	0	0	0	107.4	V102	S1-V102 WeakPolarHBondContact CA-O 3.5Å; S1-V102 VanDerWaalsContact CB-O 3.3Å; S1-V102 WeakPolarHBondContact CB-O 3.5Å
2	H	97.3	Very high	98	Very high	42 Å²	42	36.9 Å²	36.9	19%	0.194	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	159.3	-179.2	-65.1	-76.6	0	0	0	110.8	D28 D101 V102 L167 L171	H2-D28 VanDerWaalsContact CA-OD1 3.23Å; H2-D28 WeakPolarHBondContact CA-OD1 3.36Å; H2-D28 IonicContact CE1-OD2 2.71Å; H2-D28 IonicContact CG-OD2 3.49Å; H2-D28 IonicContact ND1-OD1 3.75Å; H2-D28 IonicContact ND1-OD2 2.72Å; H2-D28 PolarHBondContact ND1-OD2 3.19Å; H2-D101 CarbonylContact O-C 3.6Å; H2-D101 WeakPolarHBondContact O-CA 3.49Å; H2-V102 HydrophobicContact CB-CG2 4.01Å; H2-V102 PolarHBondContact N-O 3.2Å; H2-V102 PolarHBondContact O-N 3.02Å; H2-L167 HydrophobicContact CB-CD1 4.4Å; H2-L171 HydrophobicContact CB-CD1 3.66Å; H2-L171 HydrophobicContact CB-CD2 3.97Å; H2-L171 HydrophobicContact CB-CG 4.39Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.44Å
3	S	98.1	Very high	97.9	Very high	22 Å²	22	39.2 Å²	39.2	15%	0.154	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	150.2	-179.9	64.8	0	0	0	0	111.5	V27 D28 C100 D101	S3-V27 CarbonylContact O-C 3.54Å; S3-V27 WeakPolarHBondContact O-CA 3.35Å; S3-D28 PolarHBondContact N-OD1 3.17Å; S3-D28 PolarHBondContact O-N 3.38Å; S3-D28 PolarHBondContact OG-OD1 2.94Å; S3-C100 WeakPolarHBondContact CA-O 3.05Å; S3-D101 WeakPolarHBondContact CB-OD1 3.31Å
4	M	98.7	Very high	97.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123	166.6	-175.9	173.3	62.7	0	0	108.4	Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170	M4-Y6 HydrophobicContact CE-CE2 4.06Å; M4-Y6 HydrophobicContact CG-CE2 4.09Å; M4-Y6 HydrophobicContact SD-CE2 3.98Å; M4-Y26 CarbonylContact C-O 3.6Å; M4-Y26 WeakPolarHBondContact CA-O 3.38Å; M4-V27 HydrophobicContact CG-CG2 4.37Å; M4-F32 HydrophobicContact CG-CE1 4.37Å; M4-F32 HydrophobicContact CG-CZ 4.45Å; M4-F32 HydrophobicContact SD-CZ 4.21Å; M4-G99 CarbonylContact O-C 3.49Å; M4-G99 WeakPolarHBondContact O-CA 3.17Å; M4-C100 PolarHBondContact N-O 3.39Å; M4-C100 PolarHBondContact O-N 2.63Å; M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.25Å; M4-C163 WeakPolarHBondContact CE-O 3.43Å; M4-C163 WeakPolarHBondContact CE-SG 3.48Å; M4-W166 HydrophobicContact CE-CB 4.05Å; M4-W166 HydrophobicContact SD-CB 4.36Å; M4-L167 HydrophobicContact CB-CB 4.09Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 4.14Å; M4-L167 HydrophobicContact CB-CG 4.3Å; M4-Y170 HydrophobicContact SD-CD2 3.74Å; M4-Y170 HydrophobicContact SD-CE2 3.52Å; M4-Y170 VanDerWaalsContact SD-CE2 3.52Å
5	R	98.7	Very high	96.8	Very high	50 Å²	50	43.5 Å²	43.5	19%	0.189	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.1	-177	-55.8	-62.6	179	76	5.1	110.9	F7 G25 Y26 Y98 D101 Y112	R5-F7 HydrophobicContact CB-CE2 3.68Å; R5-F7 HydrophobicContact CB-CZ 4.02Å; R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.46Å; R5-Y26 PolarHBondContact N-O 3.01Å; R5-Y26 PolarHBondContact O-N 3.33Å; R5-Y98 WeakPolarHBondContact CA-O 3.22Å; R5-D101 IonicContact CZ-OD1 3.53Å; R5-D101 IonicContact NE-OD1 2.69Å; R5-D101 PolarHBondContact NE-OD1 3.2Å; R5-D101 IonicContact NH2-OD1 3.04Å; R5-D101 PolarHBondContact NH2-OD1 3.26Å; R5-D101 IonicContact NH2-OD2 3.88Å; R5-D101 PolarHBondContact NH2-OD2 3.43Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.32Å; R5-Y112 PolarHBondContact NH2-OH 3.19Å
6	Y	98.8	Very high	96.5	Very high	10 Å²	10	54.3 Å²	54.3	4%	0.039	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.1	170.3	-68.2	-86.9	0	0	0	109.7	M4 Y8 V24 F32 V33 M97 Y98	M4-Y6 HydrophobicContact CE-CE2 4.06Å; M4-Y6 HydrophobicContact CG-CE2 4.09Å; M4-Y6 HydrophobicContact SD-CE2 3.98Å; Y6-Y8 HydrophobicContact CD1-CE1 4.47Å; Y6-V24 CarbonylContact C-O 3.56Å; Y6-V24 WeakPolarHBondContact CA-O 3.34Å; Y6-F32 HydrophobicContact CE1-CE1 4.45Å; Y6-F32 AromaticContact CE1-CZ 3.84Å; Y6-F32 HydrophobicContact CE1-CZ 3.84Å; Y6-F32 AromaticContact CZ-CZ 3.68Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.34Å; Y6-V33 HydrophobicContact CE1-CG2 3.95Å; Y6-M97 WeakPolarHBondContact O-CA 3.17Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.46Å; Y6-Y98 HydrophobicContact CD2-CD2 4.27Å; Y6-Y98 AromaticContact CD2-CE2 3.43Å; Y6-Y98 HydrophobicContact CD2-CE2 3.43Å; Y6-Y98 VanDerWaalsContact CD2-CE2 3.43Å; Y6-Y98 AromaticContact CD2-CZ 3.63Å; Y6-Y98 WeakPolarHBondContact CD2-OH 3.45Å; Y6-Y98 HydrophobicContact CE2-CE2 4.22Å; Y6-Y98 HydrophobicContact CG-CE1 4.36Å; Y6-Y98 AromaticContact CG-CE2 3.97Å; Y6-Y98 HydrophobicContact CG-CE2 3.97Å; Y6-Y98 AromaticContact CG-CZ 3.69Å; Y6-Y98 PolarHBondContact N-O 3.4Å; Y6-Y98 PolarHBondContact O-N 3.3Å; Y6-Y98 VanDerWaalsContact O-N 3.08Å
7	F	98.9	Very high	96.2	Very high	82 Å²	82	54.6 Å²	54.6	36%	0.36	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.1	177.4	-56.8	-96.8	0	0	0	109.2	R5 A23 V24 Y26 I96 M97	R5-F7 HydrophobicContact CB-CE2 3.68Å; R5-F7 HydrophobicContact CB-CZ 4.02Å; F7-A23 WeakPolarHBondContact O-CA 3.45Å; F7-V24 HydrophobicContact CB-CG2 3.81Å; F7-V24 HydrophobicContact CD2-CG2 4.29Å; F7-V24 HydrophobicContact CG-CG2 4.5Å; F7-V24 PolarHBondContact N-O 3.44Å; F7-V24 PolarHBondContact O-N 2.99Å; F7-Y26 HydrophobicContact CD2-CD2 4.19Å; F7-Y26 HydrophobicContact CE2-CD2 4.23Å; F7-I96 CarbonylContact C-O 3.6Å; F7-I96 VanDerWaalsContact CA-O 3.3Å; F7-I96 WeakPolarHBondContact CA-O 3Å; F7-M97 HydrophobicContact CD1-CB 3.91Å; F7-M97 HydrophobicContact CD1-CG 3.66Å; F7-M97 HydrophobicContact CE1-CB 4.03Å; F7-M97 HydrophobicContact CE1-CG 3.34Å; F7-M97 HydrophobicContact CZ-CG 3.96Å
8	Y	98.8	Very high	96.1	Very high	14 Å²	14	57.5 Å²	57.5	6%	0.055	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	143.1	175.4	-54.2	-18.9	0	0	0	109.5	Y6 F21 I22 A23 Q69 Q95 I96 Y98	Y6-Y8 HydrophobicContact CD1-CE1 4.47Å; Y8-F21 HydrophobicContact CD1-CZ 4.28Å; Y8-F21 HydrophobicContact CD2-CE2 4.36Å; Y8-F21 HydrophobicContact CD2-CZ 4.01Å; Y8-F21 HydrophobicContact CE2-CZ 4.47Å; Y8-F21 HydrophobicContact CG-CE2 4.28Å; Y8-F21 AromaticContact CG-CZ 3.85Å; Y8-F21 HydrophobicContact CG-CZ 3.85Å; Y8-I22 CarbonylContact C-O 3.47Å; Y8-I22 WeakPolarHBondContact CA-O 3.41Å; Y8-A23 HydrophobicContact CD1-CB 3.25Å; Y8-A23 HydrophobicContact CE1-CB 3.41Å; Y8-A23 VanDerWaalsContact CE1-CB 3.41Å; Y8-A23 HydrophobicContact CG-CB 4.2Å; Y8-Q69 HydrophobicContact CD2-CG 3.62Å; Y8-Q69 HydrophobicContact CE2-CB 4.27Å; Y8-Q69 HydrophobicContact CE2-CG 3.71Å; Y8-Q95 WeakPolarHBondContact O-CA 3.4Å; Y8-I96 PolarHBondContact N-O 2.93Å; Y8-I96 PolarHBondContact O-N 2.94Å; Y8-Y98 HydrophobicContact CD2-CE1 4.24Å; Y8-Y98 HydrophobicContact CE1-CE1 4.19Å; Y8-Y98 AromaticContact CE2-CE1 3.63Å; Y8-Y98 HydrophobicContact CE2-CE1 3.63Å; Y8-Y98 AromaticContact CZ-CE1 3.62Å; Y8-Y98 AromaticContact CZ-CZ 3.99Å; Y8-Y98 PolarHBondContact OH-OH 2.85Å
9	T	98.8	Very high	96.1	Very high	43 Å²	43	55.7 Å²	55.7	26%	0.264	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	123.9	177.4	-57.2	0	0	0	0	109.5	V11 F21 I22 T93 I94 Q95	T9-V11 HydrophobicContact CG2-CG2 4.11Å; T9-F21 WeakPolarHBondContact O-CA 3.4Å; T9-I22 PolarHBondContact N-O 3.31Å; T9-I22 PolarHBondContact O-N 2.9Å; T9-T93 HydrophobicContact CG2-CG2 3.9Å; T9-I94 WeakPolarHBondContact CA-O 3.23Å; T9-Q95 HydrophobicContact CG2-CG 4.18Å
10	S	98.7	Very high	96.2	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.014	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.4	179.3	-72.6	0	0	0	0	109.8	R20 F21 D73 T93 I94	S10-R20 CarbonylContact C-O 3.58Å; S10-R20 VanDerWaalsContact CA-O 3.28Å; S10-R20 WeakPolarHBondContact CA-O 3.32Å; S10-F21 WeakPolarHBondContact OG-CD2 3.36Å; S10-D73 WeakPolarHBondContact CB-OD2 2.94Å; S10-D73 WeakPolarHBondContact OG-CB 3.36Å; S10-D73 PolarHBondContact OG-OD2 3.32Å; S10-T93 CarbonylContact O-C 3.55Å; S10-T93 VanDerWaalsContact O-CA 3.27Å; S10-T93 WeakPolarHBondContact O-CA 3.39Å; S10-I94 PolarHBondContact N-O 2.91Å; S10-I94 PolarHBondContact O-N 2.99Å
11	V	98.4	Very high	96.3	Very high	48 Å²	48	54.8 Å²	54.8	29%	0.291	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.6	-178	-173.8	0	0	0	0	108.9	T9 P19 R20 H92 T93	T9-V11 HydrophobicContact CG2-CG2 4.11Å; V11-P19 CarbonylContact O-C 3.58Å; V11-P19 WeakPolarHBondContact O-CA 3.28Å; V11-P19 WeakPolarHBondContact O-CB 3.36Å; V11-R20 PolarHBondContact N-O 2.91Å; V11-R20 PolarHBondContact O-N 3.03Å; V11-H92 WeakPolarHBondContact CA-O 3.39Å; V11-T93 HydrophobicContact CG2-CG2 4.14Å
12	S	97.6	Very high	96.6	Very high	18 Å²	18	51.4 Å²	51.4	13%	0.126	28%	0.279	C	S	.	.			trans	-67.1	150.7	174.8	76.4	0	0	0	0	111	S91 H92	S12-S91 PolarHBondContact O-OG 2.94Å; S12-H92 PolarHBondContact N-O 3.4Å; S12-H92 PolarHBondContact OG-N 3.44Å; S12-H92 PolarHBondContact OG-O 3.32Å
13	R	95.9	Very high	96.7	Very high	66 Å²	66	49.5 Å²	49.5	25%	0.249	27%	0.27	C	S	.	.			trans	-135.2	69	-174.8	-66.8	-172.8	-75.8	-163.1	-8.5	111	G15 R16 E18 R20 D38	R13-G15 PolarHBondContact O-N 3.49Å; R13-R16 HydrophobicContact CB-CB 4.11Å; R13-R16 PolarHBondContact O-N 2.97Å; R13-E18 PolarHBondContact NE-O 3.49Å; R13-E18 PolarHBondContact NH2-O 2.97Å; R13-R20 VanDerWaalsContact CZ-CB 3.49Å; R13-R20 VanDerWaalsContact NH2-CA 3.34Å; R13-D38 IonicContact CZ-OD1 3.31Å; R13-D38 IonicContact CZ-OD2 3.11Å; R13-D38 VanDerWaalsContact NH1-CG 3.35Å; R13-D38 IonicContact NH1-OD1 2.81Å; R13-D38 PolarHBondContact NH1-OD1 3.45Å; R13-D38 IonicContact NH1-OD2 3.52Å; R13-D38 PolarHBondContact NH1-OD2 2.91Å; R13-D38 IonicContact NH2-OD1 3.44Å; R13-D38 PolarHBondContact NH2-OD1 3.34Å; R13-D38 IonicContact NH2-OD2 3.82Å
14	P	91.3	Very high	96.7	Very high	52 Å²	52	49.6 Å²	49.6	34%	0.338	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	125.4	-177.1	-25.5	33.2	0	0	0	112.3	R16 E88 G90	P14-R16 PolarHBondContact O-N 2.95Å; P14-E88 WeakPolarHBondContact CB-O 3.45Å; P14-E88 WeakPolarHBondContact CG-O 3.49Å; P14-G90 WeakPolarHBondContact CG-O 3.29Å
15	G	88.9	Confident	96.7	Very high	91 Å²	91	49.6 Å²	49.6	94%	0.938	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	6.1	-178.8	0	0	0	0	0	115.9	R13	R13-G15 PolarHBondContact O-N 3.49Å
16	R	92	Very high	96.7	Very high	216 Å²	216	50.7 Å²	50.7	82%	0.815	28%	0.275	S	S	*	.	S	Bend	trans	-126.6	21.7	-178.1	-61.5	-177.4	-177	-176.9	1.2	113.3	R13 P14	R13-R16 HydrophobicContact CB-CB 4.11Å; R13-R16 PolarHBondContact O-N 2.97Å; P14-R16 PolarHBondContact O-N 2.95Å
17	G	91.4	Very high	96.7	Very high	60 Å²	60	50.2 Å²	50.2	62%	0.619	27%	0.273	S	S	*	.	S	Bend	trans	98.5	-161.2	176.9	0	0	0	0	0	114
18	E	93.9	Very high	96.5	Very high	107 Å²	107	47.8 Å²	47.8	50%	0.5	26%	0.264	S	S	.	.	S	Bend	trans	-66.2	153.3	-178.7	-65.4	-66.7	159.7	0	0	112	R13 R20 R74	R13-E18 PolarHBondContact NE-O 3.49Å; R13-E18 PolarHBondContact NH2-O 2.97Å; E18-R20 PolarHBondContact O-N 3.03Å; E18-R74 IonicContact OE1-NH1 2.77Å; E18-R74 PolarHBondContact OE1-NH1 3.04Å; E18-R74 WeakPolarHBondContact OE2-CD 3.24Å; E18-R74 IonicContact OE2-CZ 3.59Å; E18-R74 IonicContact OE2-NE 3.75Å; E18-R74 IonicContact OE2-NH1 3.22Å; E18-R74 PolarHBondContact OE2-NH1 3.16Å
19	P	96.8	Very high	96.3	Very high	24 Å²	24	50.3 Å²	50.3	16%	0.156	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-52.6	141.7	172.4	-26.1	35.5	0	0	0	112.3	V11 R74 L77	V11-P19 CarbonylContact O-C 3.58Å; V11-P19 WeakPolarHBondContact O-CA 3.28Å; V11-P19 WeakPolarHBondContact O-CB 3.36Å; P19-R74 HydrophobicContact CG-CB 4.44Å; P19-R74 HydrophobicContact CG-CG 4.11Å; P19-L77 HydrophobicContact CB-CD1 3.6Å; P19-L77 HydrophobicContact CG-CD1 3.66Å
20	R	98.1	Very high	96.2	Very high	90 Å²	90	49.3 Å²	49.3	34%	0.34	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	128.7	171.7	-168.7	175.3	178	-177.9	-2	108.5	S10 V11 R13 E18 I22 D36 S37 D38	S10-R20 CarbonylContact C-O 3.58Å; S10-R20 VanDerWaalsContact CA-O 3.28Å; S10-R20 WeakPolarHBondContact CA-O 3.32Å; V11-R20 PolarHBondContact N-O 2.91Å; V11-R20 PolarHBondContact O-N 3.03Å; R13-R20 VanDerWaalsContact CZ-CB 3.49Å; R13-R20 VanDerWaalsContact NH2-CA 3.34Å; E18-R20 PolarHBondContact O-N 3.03Å; R20-I22 HydrophobicContact CG-CG1 4.31Å; R20-D36 IonicContact CZ-OD1 3.89Å; R20-D36 IonicContact CZ-OD2 3.48Å; R20-D36 IonicContact NE-OD1 2.71Å; R20-D36 PolarHBondContact NE-OD1 3.48Å; R20-D36 VanDerWaalsContact NE-OD1 3.09Å; R20-D36 IonicContact NE-OD2 3.12Å; R20-D36 IonicContact NH2-OD1 3.68Å; R20-D36 PolarHBondContact NH2-OD1 3.46Å; R20-D36 IonicContact NH2-OD2 2.83Å; R20-D36 PolarHBondContact NH2-OD2 3.4Å; R20-S37 WeakPolarHBondContact CA-OG 3.46Å; R20-D38 VanDerWaalsContact CD-OD2 3.29Å; R20-D38 WeakPolarHBondContact CD-OD2 3.34Å; R20-D38 IonicContact NE-OD2 3.46Å; R20-D38 PolarHBondContact NE-OD2 2.91Å
21	F	98.6	Very high	96.1	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.8	174.6	178.2	-86	0	0	0	109.9	Y8 T9 S10 A23 F35 S37 V66 Q69 S70	Y8-F21 HydrophobicContact CD1-CZ 4.28Å; Y8-F21 HydrophobicContact CD2-CE2 4.36Å; Y8-F21 HydrophobicContact CD2-CZ 4.01Å; Y8-F21 HydrophobicContact CE2-CZ 4.47Å; Y8-F21 HydrophobicContact CG-CE2 4.28Å; Y8-F21 AromaticContact CG-CZ 3.85Å; Y8-F21 HydrophobicContact CG-CZ 3.85Å; T9-F21 WeakPolarHBondContact O-CA 3.4Å; S10-F21 WeakPolarHBondContact OG-CD2 3.36Å; F21-A23 HydrophobicContact CE1-CB 3.64Å; F21-A23 HydrophobicContact CZ-CB 4Å; F21-F35 AromaticContact CD1-CD1 3.66Å; F21-F35 HydrophobicContact CD1-CD1 3.66Å; F21-F35 AromaticContact CD1-CE1 3.79Å; F21-F35 HydrophobicContact CD1-CE1 3.79Å; F21-F35 AromaticContact CE1-CD1 3.98Å; F21-F35 HydrophobicContact CE1-CD1 3.98Å; F21-F35 HydrophobicContact CE1-CE1 4.38Å; F21-S37 PolarHBondContact N-OG 3.43Å; F21-S37 PolarHBondContact O-N 3.48Å; F21-S37 PolarHBondContact O-OG 2.92Å; F21-V66 HydrophobicContact CE1-CB 4.07Å; F21-Q69 HydrophobicContact CE2-CB 4.37Å; F21-Q69 HydrophobicContact CE2-CG 3.95Å; F21-Q69 HydrophobicContact CZ-CB 4.24Å; F21-Q69 HydrophobicContact CZ-CG 4.11Å; F21-S70 WeakPolarHBondContact CB-OG 3.49Å
22	I	98.8	Very high	96.1	Very high	41 Å²	41	49.3 Å²	49.3	21%	0.21	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	131	174.3	-57.4	175	0	0	0	107.8	Y8 T9 R20 V24 F35	Y8-I22 CarbonylContact C-O 3.47Å; Y8-I22 WeakPolarHBondContact CA-O 3.41Å; T9-I22 PolarHBondContact N-O 3.31Å; T9-I22 PolarHBondContact O-N 2.9Å; R20-I22 HydrophobicContact CG-CG1 4.31Å; I22-V24 HydrophobicContact CG2-CG1 4.39Å; I22-F35 WeakPolarHBondContact CA-O 3.45Å
23	A	98.8	Very high	96.1	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.017	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.3	169.9	0	0	0	0	0	110.5	F7 Y8 F21 R34 F35 V66	F7-A23 WeakPolarHBondContact O-CA 3.45Å; Y8-A23 HydrophobicContact CD1-CB 3.25Å; Y8-A23 HydrophobicContact CE1-CB 3.41Å; Y8-A23 VanDerWaalsContact CE1-CB 3.41Å; Y8-A23 HydrophobicContact CG-CB 4.2Å; F21-A23 HydrophobicContact CE1-CB 3.64Å; F21-A23 HydrophobicContact CZ-CB 4Å; A23-R34 CarbonylContact O-C 3.51Å; A23-R34 VanDerWaalsContact O-CA 3.3Å; A23-R34 WeakPolarHBondContact O-CA 3.24Å; A23-F35 HydrophobicContact CB-CB 4.26Å; A23-F35 PolarHBondContact N-O 3.44Å; A23-F35 PolarHBondContact O-N 2.99Å; A23-V66 HydrophobicContact CB-CG1 4.2Å
24	V	98.8	Very high	96.2	Very high	25 Å²	25	48.7 Å²	48.7	15%	0.152	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	146.1	173.1	-62.4	0	0	0	0	109.9	Y6 F7 I22 Y26 Q31 V33 R34	Y6-V24 CarbonylContact C-O 3.56Å; Y6-V24 WeakPolarHBondContact CA-O 3.34Å; F7-V24 HydrophobicContact CB-CG2 3.81Å; F7-V24 HydrophobicContact CD2-CG2 4.29Å; F7-V24 HydrophobicContact CG-CG2 4.5Å; F7-V24 PolarHBondContact N-O 3.44Å; F7-V24 PolarHBondContact O-N 2.99Å; I22-V24 HydrophobicContact CG2-CG1 4.39Å; V24-Y26 HydrophobicContact CB-CE2 4.04Å; V24-Y26 HydrophobicContact CG2-CD2 4.36Å; V24-Y26 HydrophobicContact CG2-CE2 3.79Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.27Å; V24-V33 WeakPolarHBondContact CA-O 3.35Å; V24-R34 HydrophobicContact CG1-CG 4.24Å
25	G	98.6	Very high	96.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.5	175.8	0	0	0	0	0	110.6	R5 Q31 F32 V33	R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.46Å; G25-Q31 WeakPolarHBondContact O-CA 3.24Å; G25-F32 WeakPolarHBondContact O-CD1 3.48Å; G25-F32 PolarHBondContact O-N 3.47Å; G25-V33 PolarHBondContact N-O 3.37Å; G25-V33 VanDerWaalsContact N-O 3.08Å; G25-V33 PolarHBondContact O-N 3.49Å
26	Y	98.5	Very high	97.1	Very high	72 Å²	72	43 Å²	43	28%	0.282	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.3	178.8	-73.3	-102.1	0	0	0	110.5	M4 R5 F7 V24 T30 Q31	M4-Y26 CarbonylContact C-O 3.6Å; M4-Y26 WeakPolarHBondContact CA-O 3.38Å; R5-Y26 PolarHBondContact N-O 3.01Å; R5-Y26 PolarHBondContact O-N 3.33Å; F7-Y26 HydrophobicContact CD2-CD2 4.19Å; F7-Y26 HydrophobicContact CE2-CD2 4.23Å; V24-Y26 HydrophobicContact CB-CE2 4.04Å; V24-Y26 HydrophobicContact CG2-CD2 4.36Å; V24-Y26 HydrophobicContact CG2-CE2 3.79Å; Y26-T30 WeakPolarHBondContact CA-O 3.49Å; Y26-T30 VanDerWaalsContact CD1-C 3.46Å; Y26-Q31 HydrophobicContact CD1-CB 3.98Å; Y26-Q31 VanDerWaalsContact CD1-N 3.28Å; Y26-Q31 HydrophobicContact CD2-CG 4.46Å; Y26-Q31 HydrophobicContact CE1-CB 3.5Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.5Å; Y26-Q31 HydrophobicContact CE1-CG 4.2Å; Y26-Q31 HydrophobicContact CE2-CB 4.19Å; Y26-Q31 HydrophobicContact CE2-CG 3.97Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å
27	V	98.4	Very high	97.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.7	156.6	177.2	0	0	0	0	105.9	S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178	S3-V27 CarbonylContact O-C 3.54Å; S3-V27 WeakPolarHBondContact O-CA 3.35Å; M4-V27 HydrophobicContact CG-CG2 4.37Å; V27-D29 PolarHBondContact O-N 3.45Å; V27-T30 PolarHBondContact N-O 2.89Å; V27-T30 WeakPolarHBondContact O-CB 3.32Å; V27-T30 PolarHBondContact O-N 3.47Å; V27-F32 HydrophobicContact CG2-CD1 3.99Å; V27-F32 HydrophobicContact CG2-CE1 4.02Å; V27-W50 HydrophobicContact CB-CH2 4.44Å; V27-W50 HydrophobicContact CG2-CH2 3.94Å; V27-L167 HydrophobicContact CG1-CD1 3.64Å; V27-L167 HydrophobicContact CG2-CD1 4.33Å; V27-Y170 HydrophobicContact CG2-CD2 3.96Å; V27-Y170 HydrophobicContact CG2-CG 4.47Å; V27-L171 HydrophobicContact CG1-CD2 4.09Å; V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.11Å; V27-L178 HydrophobicContact CG1-CD1 3.89Å; V27-L178 HydrophobicContact CG1-CD2 4.08Å
28	D	96.1	Very high	97.6	Very high	31 Å²	31	34.5 Å²	34.5	17%	0.166	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	-124.3	-166.2	-54.9	-42.1	0	0	0	110.5	H2 S3 T30	H2-D28 VanDerWaalsContact CA-OD1 3.23Å; H2-D28 WeakPolarHBondContact CA-OD1 3.36Å; H2-D28 IonicContact CE1-OD2 2.71Å; H2-D28 IonicContact CG-OD2 3.49Å; H2-D28 IonicContact ND1-OD1 3.75Å; H2-D28 IonicContact ND1-OD2 2.72Å; H2-D28 PolarHBondContact ND1-OD2 3.19Å; S3-D28 PolarHBondContact N-OD1 3.17Å; S3-D28 PolarHBondContact O-N 3.38Å; S3-D28 PolarHBondContact OG-OD1 2.94Å; D28-T30 VanDerWaalsContact C-N 3.32Å
29	D	94.3	Very high	97.8	Very high	67 Å²	67	30.8 Å²	30.8	36%	0.358	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	10.6	-180	-52	-57.5	0	0	0	113.4	V27 A210 F240	V27-D29 PolarHBondContact O-N 3.45Å; D29-A210 HydrophobicContact CB-CB 4.13Å; D29-A210 VanDerWaalsContact CG-CB 3.46Å; D29-A210 VanDerWaalsContact OD2-CB 3.27Å; D29-A210 WeakPolarHBondContact OD2-CB 3.26Å; D29-A210 PolarHBondContact OD2-N 3.2Å; D29-F240 HydrophobicContact CB-CE1 4.46Å; D29-F240 HydrophobicContact CB-CE2 3.79Å; D29-F240 HydrophobicContact CB-CZ 3.48Å; D29-F240 VanDerWaalsContact CB-CZ 3.48Å
30	T	95.8	Very high	97.7	Very high	23 Å²	23	35.1 Å²	35.1	14%	0.141	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114.6	-174.1	-55.9	0	0	0	0	112.2	Y26 V27 D28 F32 L178 Y208	Y26-T30 WeakPolarHBondContact CA-O 3.49Å; Y26-T30 VanDerWaalsContact CD1-C 3.46Å; V27-T30 PolarHBondContact N-O 2.89Å; V27-T30 WeakPolarHBondContact O-CB 3.32Å; V27-T30 PolarHBondContact O-N 3.47Å; D28-T30 VanDerWaalsContact C-N 3.32Å; T30-F32 PolarHBondContact O-N 2.89Å; T30-L178 HydrophobicContact CG2-CD2 4.11Å; T30-Y208 PolarHBondContact OG1-OH 2.97Å; T30-Y208 VanDerWaalsContact OG1-OH 3.1Å
31	Q	97.2	Very high	97.5	Very high	49 Å²	49	33.4 Å²	33.4	23%	0.229	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	129.4	174.9	-166.3	179.1	4.4	0	0	110.3	V24 G25 Y26 V33 R47	V24-Q31 VanDerWaalsContact CG1-NE2 3.27Å; G25-Q31 WeakPolarHBondContact O-CA 3.24Å; Y26-Q31 HydrophobicContact CD1-CB 3.98Å; Y26-Q31 VanDerWaalsContact CD1-N 3.28Å; Y26-Q31 HydrophobicContact CD2-CG 4.46Å; Y26-Q31 HydrophobicContact CE1-CB 3.5Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.5Å; Y26-Q31 HydrophobicContact CE1-CG 4.2Å; Y26-Q31 HydrophobicContact CE2-CB 4.19Å; Y26-Q31 HydrophobicContact CE2-CG 3.97Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å; Q31-V33 PolarHBondContact NE2-O 3.28Å; Q31-R47 HydrophobicContact CB-CB 4.47Å; Q31-R47 HydrophobicContact CG-CB 4.09Å; Q31-R47 HydrophobicContact CG-CG 4.33Å; Q31-R47 CarbonylContact O-C 3.57Å
32	F	98.2	Very high	97.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	-22.4	179.6	74.4	-81.8	0	0	0	114.2	M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170	M4-F32 HydrophobicContact CG-CE1 4.37Å; M4-F32 HydrophobicContact CG-CZ 4.45Å; M4-F32 HydrophobicContact SD-CZ 4.21Å; Y6-F32 HydrophobicContact CE1-CE1 4.45Å; Y6-F32 AromaticContact CE1-CZ 3.84Å; Y6-F32 HydrophobicContact CE1-CZ 3.84Å; Y6-F32 AromaticContact CZ-CZ 3.68Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.34Å; G25-F32 WeakPolarHBondContact O-CD1 3.48Å; G25-F32 PolarHBondContact O-N 3.47Å; V27-F32 HydrophobicContact CG2-CD1 3.99Å; V27-F32 HydrophobicContact CG2-CE1 4.02Å; T30-F32 PolarHBondContact O-N 2.89Å; F32-R47 PolarHBondContact O-N 3.43Å; F32-A48 HydrophobicContact CB-CB 4.24Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.39Å; F32-W50 HydrophobicContact CB-CZ3 3.96Å; F32-W50 HydrophobicContact CD1-CH2 4.19Å; F32-W50 AromaticContact CD2-CH2 3.91Å; F32-W50 HydrophobicContact CD2-CH2 3.91Å; F32-W50 HydrophobicContact CD2-CZ3 4.18Å; F32-W50 AromaticContact CG-CH2 3.52Å; F32-W50 HydrophobicContact CG-CH2 3.52Å; F32-W50 HydrophobicContact CG-CZ2 4.22Å; F32-W50 HydrophobicContact CG-CZ3 4.25Å; F32-I51 HydrophobicContact CD2-CD1 3.97Å; F32-I51 HydrophobicContact CD2-CG1 4.03Å; F32-I51 HydrophobicContact CE2-CD1 4.37Å; F32-I51 VanDerWaalsContact O-CG2 3.25Å; F32-I51 WeakPolarHBondContact O-CG2 3.34Å; F32-Y170 HydrophobicContact CD2-CE2 4.45Å; F32-Y170 HydrophobicContact CE2-CD2 4.21Å; F32-Y170 AromaticContact CE2-CE2 3.62Å; F32-Y170 HydrophobicContact CE2-CE2 3.62Å; F32-Y170 AromaticContact CE2-CZ 3.93Å; F32-Y170 HydrophobicContact CZ-CD2 4.3Å; F32-Y170 AromaticContact CZ-CE2 3.8Å; F32-Y170 HydrophobicContact CZ-CE2 3.8Å
33	V	98.5	Very high	97.3	Very high	2 Å²	2	43 Å²	43	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	153.8	176.8	-71.7	0	0	0	0	112.9	Y6 V24 G25 Q31 M44 E45 I51 W59	Y6-V33 HydrophobicContact CE1-CG2 3.95Å; V24-V33 WeakPolarHBondContact CA-O 3.35Å; G25-V33 PolarHBondContact N-O 3.37Å; G25-V33 VanDerWaalsContact N-O 3.08Å; G25-V33 PolarHBondContact O-N 3.49Å; Q31-V33 PolarHBondContact NE2-O 3.28Å; V33-M44 HydrophobicContact CB-CG 4.16Å; V33-M44 HydrophobicContact CB-SD 3.68Å; V33-M44 HydrophobicContact CG1-CG 4.2Å; V33-M44 HydrophobicContact CG1-SD 4.36Å; V33-M44 HydrophobicContact CG2-SD 4.12Å; V33-E45 WeakPolarHBondContact CA-O 3.43Å; V33-I51 HydrophobicContact CG1-CG1 4.37Å; V33-W59 HydrophobicContact CG1-CH2 4.15Å; V33-W59 HydrophobicContact CG1-CZ3 3.94Å
34	R	98.5	Very high	97.3	Very high	70 Å²	70	43.4 Å²	43.4	26%	0.264	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	144.6	172.5	-179.7	174.4	169.8	103.4	5.4	111.4	A23 V24 D36 M44 E45 R47	A23-R34 CarbonylContact O-C 3.51Å; A23-R34 VanDerWaalsContact O-CA 3.3Å; A23-R34 WeakPolarHBondContact O-CA 3.24Å; V24-R34 HydrophobicContact CG1-CG 4.24Å; R34-D36 IonicContact CZ-OD2 3.8Å; R34-D36 IonicContact NH2-OD2 2.69Å; R34-D36 PolarHBondContact NH2-OD2 2.9Å; R34-M44 VanDerWaalsContact C-SD 3.55Å; R34-E45 PolarHBondContact N-O 2.97Å; R34-E45 PolarHBondContact O-N 2.93Å; R34-R47 HydrophobicContact CB-CG 3.88Å
35	F	98.8	Very high	97.3	Very high	5 Å²	5	45 Å²	45	2%	0.022	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.3	164.4	177	-83.5	0	0	0	109.6	F21 I22 A23 Q42 R43 M44 V66 K67	F21-F35 AromaticContact CD1-CD1 3.66Å; F21-F35 HydrophobicContact CD1-CD1 3.66Å; F21-F35 AromaticContact CD1-CE1 3.79Å; F21-F35 HydrophobicContact CD1-CE1 3.79Å; F21-F35 AromaticContact CE1-CD1 3.98Å; F21-F35 HydrophobicContact CE1-CD1 3.98Å; F21-F35 HydrophobicContact CE1-CE1 4.38Å; I22-F35 WeakPolarHBondContact CA-O 3.45Å; A23-F35 HydrophobicContact CB-CB 4.26Å; A23-F35 PolarHBondContact N-O 3.44Å; A23-F35 PolarHBondContact O-N 2.99Å; F35-Q42 VanDerWaalsContact CE2-C 3.46Å; F35-Q42 HydrophobicContact CE2-CB 4.47Å; F35-Q42 WeakPolarHBondContact CE2-O 3.28Å; F35-Q42 HydrophobicContact CZ-CB 4.44Å; F35-R43 WeakPolarHBondContact CD2-O 3.28Å; F35-M44 HydrophobicContact CB-CE 4.35Å; F35-M44 HydrophobicContact CB-SD 4.04Å; F35-V66 HydrophobicContact CB-CG2 4.04Å; F35-V66 HydrophobicContact CD1-CG2 4.16Å; F35-V66 HydrophobicContact CD2-CG2 3.39Å; F35-V66 HydrophobicContact CE2-CG2 3.78Å; F35-V66 HydrophobicContact CG-CB 4.32Å; F35-V66 HydrophobicContact CG-CG2 3.6Å; F35-V66 HydrophobicContact CZ-CG2 4.33Å; F35-K67 HydrophobicContact CE2-CG 4.21Å; F35-K67 HydrophobicContact CZ-CG 4.07Å
36	D	98.5	Very high	97.3	Very high	19 Å²	19	47.1 Å²	47.1	10%	0.102	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	122.8	173.7	-162.7	-31.8	0	0	0	109	R20 R34 D38 A39	R20-D36 IonicContact CZ-OD1 3.89Å; R20-D36 IonicContact CZ-OD2 3.48Å; R20-D36 IonicContact NE-OD1 2.71Å; R20-D36 PolarHBondContact NE-OD1 3.48Å; R20-D36 VanDerWaalsContact NE-OD1 3.09Å; R20-D36 IonicContact NE-OD2 3.12Å; R20-D36 IonicContact NH2-OD1 3.68Å; R20-D36 PolarHBondContact NH2-OD1 3.46Å; R20-D36 IonicContact NH2-OD2 2.83Å; R20-D36 PolarHBondContact NH2-OD2 3.4Å; R34-D36 IonicContact CZ-OD2 3.8Å; R34-D36 IonicContact NH2-OD2 2.69Å; R34-D36 PolarHBondContact NH2-OD2 2.9Å; D36-D38 PolarHBondContact O-N 3.48Å; D36-D38 PolarHBondContact OD1-N 3.29Å; D36-A39 HydrophobicContact CB-CB 4.13Å; D36-A39 WeakPolarHBondContact O-CB 3.45Å; D36-A39 PolarHBondContact O-N 3.42Å; D36-A39 VanDerWaalsContact O-N 3.12Å
37	S	97.9	Very high	97.2	Very high	16 Å²	16	48.6 Å²	48.6	11%	0.112	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.7	-179.4	63.9	0	0	0	0	113	R20 F21 Q42	R20-S37 WeakPolarHBondContact CA-OG 3.46Å; F21-S37 PolarHBondContact N-OG 3.43Å; F21-S37 PolarHBondContact O-N 3.48Å; F21-S37 PolarHBondContact O-OG 2.92Å; S37-Q42 PolarHBondContact O-NE2 3.32Å
38	D	97.1	Very high	97.1	Very high	81 Å²	81	48.8 Å²	48.8	43%	0.433	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-8.8	179.6	-69.2	0.8	0	0	0	112.4	R13 R20 D36	R13-D38 IonicContact CZ-OD1 3.31Å; R13-D38 IonicContact CZ-OD2 3.11Å; R13-D38 VanDerWaalsContact NH1-CG 3.35Å; R13-D38 IonicContact NH1-OD1 2.81Å; R13-D38 PolarHBondContact NH1-OD1 3.45Å; R13-D38 IonicContact NH1-OD2 3.52Å; R13-D38 PolarHBondContact NH1-OD2 2.91Å; R13-D38 IonicContact NH2-OD1 3.44Å; R13-D38 PolarHBondContact NH2-OD1 3.34Å; R13-D38 IonicContact NH2-OD2 3.82Å; R20-D38 VanDerWaalsContact CD-OD2 3.29Å; R20-D38 WeakPolarHBondContact CD-OD2 3.34Å; R20-D38 IonicContact NE-OD2 3.46Å; R20-D38 PolarHBondContact NE-OD2 2.91Å; D36-D38 PolarHBondContact O-N 3.48Å; D36-D38 PolarHBondContact OD1-N 3.29Å
39	A	96.9	Very high	97.1	Very high	29 Å²	29	52.1 Å²	52.1	24%	0.24	28%	0.282	C	S	.	.	S	Bend	trans	-70.4	142.9	175.9	0	0	0	0	0	111	D36 S41 Q42	D36-A39 HydrophobicContact CB-CB 4.13Å; D36-A39 WeakPolarHBondContact O-CB 3.45Å; D36-A39 PolarHBondContact O-N 3.42Å; D36-A39 VanDerWaalsContact O-N 3.12Å; A39-S41 VanDerWaalsContact C-N 3.26Å; A39-S41 PolarHBondContact O-N 3.48Å; A39-Q42 WeakPolarHBondContact O-CG 3.42Å; A39-Q42 PolarHBondContact O-N 3.22Å; A39-Q42 VanDerWaalsContact O-N 3.12Å
40	A	96.1	Very high	97.2	Very high	115 Å²	115	49.7 Å²	49.7	95%	0.95	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-33.2	-179.1	0	0	0	0	0	113.6
41	S	93.6	Very high	97.3	Very high	53 Å²	53	48.6 Å²	48.6	37%	0.371	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-32.7	178.6	62.4	0	0	0	0	112.3	A39 R43 E45	A39-S41 VanDerWaalsContact C-N 3.26Å; A39-S41 PolarHBondContact O-N 3.48Å; S41-R43 WeakPolarHBondContact O-CG 3.43Å; S41-R43 PolarHBondContact O-N 2.96Å; S41-E45 PolarHBondContact OG-OE1 3.42Å
42	Q	96	Very high	97.3	Very high	89 Å²	89	52.2 Å²	52.2	42%	0.416	28%	0.278	S	S	.	.			trans	38.3	50.3	-167.6	-59.4	-173.1	-25.5	0	0	111.9	F35 S37 A39 K67	F35-Q42 VanDerWaalsContact CE2-C 3.46Å; F35-Q42 HydrophobicContact CE2-CB 4.47Å; F35-Q42 WeakPolarHBondContact CE2-O 3.28Å; F35-Q42 HydrophobicContact CZ-CB 4.44Å; S37-Q42 PolarHBondContact O-NE2 3.32Å; A39-Q42 WeakPolarHBondContact O-CG 3.42Å; A39-Q42 PolarHBondContact O-N 3.22Å; A39-Q42 VanDerWaalsContact O-N 3.12Å; Q42-K67 WeakPolarHBondContact O-CE 3.49Å; Q42-K67 PolarHBondContact O-NZ 2.79Å; Q42-K67 VanDerWaalsContact O-NZ 3.08Å
43	R	97.9	Very high	97.2	Very high	155 Å²	155	57.8 Å²	57.8	59%	0.585	31%	0.305	S	S	*	.	S	Bend	trans	-124.9	156.3	179.1	-81.3	178.1	173.8	153.5	0.2	110.4	F35 S41 E45 T63	F35-R43 WeakPolarHBondContact CD2-O 3.28Å; S41-R43 WeakPolarHBondContact O-CG 3.43Å; S41-R43 PolarHBondContact O-N 2.96Å; R43-E45 PolarHBondContact O-N 3.46Å; R43-T63 HydrophobicContact CG-CG2 4.14Å
44	M	98.3	Very high	97.1	Very high	10 Å²	10	58.2 Å²	58.2	5%	0.049	31%	0.306	C	S	.	.			trans	-68.8	127.8	167.1	-174.2	65.2	82.5	0	0	108.1	V33 R34 F35 W59 N62 T63 V66	V33-M44 HydrophobicContact CB-CG 4.16Å; V33-M44 HydrophobicContact CB-SD 3.68Å; V33-M44 HydrophobicContact CG1-CG 4.2Å; V33-M44 HydrophobicContact CG1-SD 4.36Å; V33-M44 HydrophobicContact CG2-SD 4.12Å; R34-M44 VanDerWaalsContact C-SD 3.55Å; F35-M44 HydrophobicContact CB-CE 4.35Å; F35-M44 HydrophobicContact CB-SD 4.04Å; M44-W59 HydrophobicContact CB-CE3 4.27Å; M44-W59 HydrophobicContact CG-CE3 4.12Å; M44-W59 HydrophobicContact CG-CZ3 3.98Å; M44-N62 HydrophobicContact CB-CB 4.28Å; M44-N62 HydrophobicContact CE-CB 4.42Å; M44-N62 HydrophobicContact CG-CB 4.2Å; M44-T63 PolarHBondContact N-OG1 3.41Å; M44-V66 HydrophobicContact CE-CB 4.38Å; M44-V66 HydrophobicContact CE-CG1 3.34Å; M44-V66 HydrophobicContact CE-CG2 4.19Å
45	E	98.1	Very high	97	Very high	60 Å²	60	56.6 Å²	56.6	28%	0.28	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	142.6	-174.7	-62.6	176.9	172.9	0	0	111	V33 R34 S41 R43 R47	V33-E45 WeakPolarHBondContact CA-O 3.43Å; R34-E45 PolarHBondContact N-O 2.97Å; R34-E45 PolarHBondContact O-N 2.93Å; S41-E45 PolarHBondContact OG-OE1 3.42Å; R43-E45 PolarHBondContact O-N 3.46Å; E45-R47 IonicContact OE2-CZ 3.91Å; E45-R47 IonicContact OE2-NH1 3.73Å; E45-R47 PolarHBondContact OE2-NH1 3.04Å; E45-R47 VanDerWaalsContact OE2-NH1 3.11Å; E45-R47 IonicContact OE2-NH2 2.92Å; E45-R47 PolarHBondContact OE2-NH2 3.5Å
46	P	98.1	Very high	97	Very high	44 Å²	44	61.1 Å²	61.1	29%	0.286	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	147.5	174.2	28.5	-34.1	0	0	0	111.2	I51 E52 W59	P46-I51 HydrophobicContact CB-CG2 3.64Å; P46-E52 HydrophobicContact CB-CG 3.76Å; P46-E52 HydrophobicContact CG-CG 4.01Å; P46-W59 HydrophobicContact CB-CH2 3.61Å; P46-W59 HydrophobicContact CB-CZ2 4.02Å; P46-W59 HydrophobicContact CB-CZ3 4.47Å; P46-W59 HydrophobicContact CG-CH2 4.23Å; P46-W59 HydrophobicContact CG-CZ2 4.45Å
47	R	97.4	Very high	97	Very high	102 Å²	102	68 Å²	68	39%	0.385	37%	0.373	S	S	.	.			trans	-129.5	1.9	172.9	-65.4	-63.7	-178.6	-94.1	2.8	113.5	Q31 F32 R34 E45	Q31-R47 HydrophobicContact CB-CB 4.47Å; Q31-R47 HydrophobicContact CG-CB 4.09Å; Q31-R47 HydrophobicContact CG-CG 4.33Å; Q31-R47 CarbonylContact O-C 3.57Å; F32-R47 PolarHBondContact O-N 3.43Å; R34-R47 HydrophobicContact CB-CG 3.88Å; E45-R47 IonicContact OE2-CZ 3.91Å; E45-R47 IonicContact OE2-NH1 3.73Å; E45-R47 PolarHBondContact OE2-NH1 3.04Å; E45-R47 VanDerWaalsContact OE2-NH1 3.11Å; E45-R47 IonicContact OE2-NH2 2.92Å; E45-R47 PolarHBondContact OE2-NH2 3.5Å
48	A	96.1	Very high	97	Very high	5 Å²	5	67.7 Å²	67.7	4%	0.041	37%	0.369	C	S	.	.	S	Bend	trans	-139.6	143.5	173.2	0	0	0	0	0	110.7	F32 W50 I51	F32-A48 HydrophobicContact CB-CB 4.24Å; A48-W50 VanDerWaalsContact C-N 3.28Å; A48-W50 HydrophobicContact CB-CD2 4.14Å; A48-W50 HydrophobicContact CB-CG 4.34Å; A48-W50 HydrophobicContact CB-CZ2 3.95Å; A48-W50 PolarHBondContact O-N 3.13Å; A48-I51 WeakPolarHBondContact O-CG2 3.3Å; A48-I51 PolarHBondContact O-N 3.36Å
49	P	96.3	Very high	97	Very high	101 Å²	101	65.7 Å²	65.7	66%	0.656	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-58.4	-38	-177.3	-26.5	34.8	0	0	0	113.6	I51 E52	P49-I51 PolarHBondContact O-N 2.79Å; P49-E52 WeakPolarHBondContact O-CB 3.28Å; P49-E52 PolarHBondContact O-N 2.79Å; P49-E52 VanDerWaalsContact O-N 3.1Å
50	W	96.4	Very high	97.1	Very high	16 Å²	16	68.3 Å²	68.3	6%	0.061	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-69	-14	-176.7	54.1	-105.5	0	0	0	114.4	V27 F32 A48 Q53 Y170 N173 L178	V27-W50 HydrophobicContact CB-CH2 4.44Å; V27-W50 HydrophobicContact CG2-CH2 3.94Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.39Å; F32-W50 HydrophobicContact CB-CZ3 3.96Å; F32-W50 HydrophobicContact CD1-CH2 4.19Å; F32-W50 AromaticContact CD2-CH2 3.91Å; F32-W50 HydrophobicContact CD2-CH2 3.91Å; F32-W50 HydrophobicContact CD2-CZ3 4.18Å; F32-W50 AromaticContact CG-CH2 3.52Å; F32-W50 HydrophobicContact CG-CH2 3.52Å; F32-W50 HydrophobicContact CG-CZ2 4.22Å; F32-W50 HydrophobicContact CG-CZ3 4.25Å; A48-W50 VanDerWaalsContact C-N 3.28Å; A48-W50 HydrophobicContact CB-CD2 4.14Å; A48-W50 HydrophobicContact CB-CG 4.34Å; A48-W50 HydrophobicContact CB-CZ2 3.95Å; A48-W50 PolarHBondContact O-N 3.13Å; W50-Q53 WeakPolarHBondContact O-CG 3.47Å; W50-Q53 PolarHBondContact O-NE2 2.62Å; W50-Y170 HydrophobicContact CH2-CG 4.33Å; W50-Y170 AromaticContact CZ3-CD1 3.88Å; W50-Y170 HydrophobicContact CZ3-CD1 3.88Å; W50-Y170 HydrophobicContact CZ3-CD2 4.49Å; W50-Y170 AromaticContact CZ3-CG 3.78Å; W50-Y170 HydrophobicContact CZ3-CG 3.78Å; W50-N173 WeakPolarHBondContact CB-O 3.5Å; W50-L178 HydrophobicContact CD2-CD1 4.44Å; W50-L178 HydrophobicContact CH2-CD1 4.24Å; W50-L178 HydrophobicContact CZ2-CD1 3.82Å; W50-L178 HydrophobicContact CZ2-CD2 4.02Å; W50-L178 HydrophobicContact CZ2-CG 4.29Å
51	I	97.9	Very high	97.2	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-89.6	-19.2	173.9	-163.1	70	0	0	0	112	F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170	F32-I51 HydrophobicContact CD2-CD1 3.97Å; F32-I51 HydrophobicContact CD2-CG1 4.03Å; F32-I51 HydrophobicContact CE2-CD1 4.37Å; F32-I51 VanDerWaalsContact O-CG2 3.25Å; F32-I51 WeakPolarHBondContact O-CG2 3.34Å; V33-I51 HydrophobicContact CG1-CG1 4.37Å; P46-I51 HydrophobicContact CB-CG2 3.64Å; A48-I51 WeakPolarHBondContact O-CG2 3.3Å; A48-I51 PolarHBondContact O-N 3.36Å; P49-I51 PolarHBondContact O-N 2.79Å; I51-Q53 PolarHBondContact O-N 3.48Å; I51-E54 HydrophobicContact CD1-CG 3.69Å; I51-E54 HydrophobicContact CG1-CG 4.24Å; I51-E54 WeakPolarHBondContact O-CB 3.32Å; I51-E54 WeakPolarHBondContact O-CG 3.41Å; I51-E54 PolarHBondContact O-N 2.89Å; I51-Y58 HydrophobicContact CD1-CE1 4.21Å; I51-Y58 HydrophobicContact CG1-CE1 4.2Å; I51-W59 HydrophobicContact CG1-CH2 3.84Å; I51-W59 HydrophobicContact CG1-CZ2 4.1Å; I51-W59 HydrophobicContact CG2-CH2 4.03Å; I51-W59 HydrophobicContact CG2-CZ2 4.43Å; I51-W59 WeakPolarHBondContact O-CZ2 3.38Å; I51-Y170 HydrophobicContact CD1-CD1 3.78Å; I51-Y170 HydrophobicContact CD1-CE1 3.32Å
52	E	96.8	Very high	97.4	Very high	124 Å²	124	65.8 Å²	65.8	58%	0.579	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.4	-176.6	-64.4	-178.8	-173.9	0	0	113.1	P46 P49 E54	P46-E52 HydrophobicContact CB-CG 3.76Å; P46-E52 HydrophobicContact CG-CG 4.01Å; P49-E52 WeakPolarHBondContact O-CB 3.28Å; P49-E52 PolarHBondContact O-N 2.79Å; P49-E52 VanDerWaalsContact O-N 3.1Å; E52-E54 PolarHBondContact O-N 2.96Å
53	Q	95.6	Very high	97.5	Very high	118 Å²	118	62.1 Å²	62.1	55%	0.551	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-13	175.4	69.3	-173.2	-33	0	0	114.1	W50 I51 N173	W50-Q53 WeakPolarHBondContact O-CG 3.47Å; W50-Q53 PolarHBondContact O-NE2 2.62Å; I51-Q53 PolarHBondContact O-N 3.48Å; Q53-N173 PolarHBondContact NE2-ND2 2.9Å
54	E	97.4	Very high	97.5	Very high	11 Å²	11	62.5 Å²	62.5	5%	0.051	31%	0.31	C	S	.	.	S	Bend	trans	-65.9	137.3	176.1	-67.1	-62.5	164.5	0	0	111.2	I51 E52 Y58 W59 R169 N173	I51-E54 HydrophobicContact CD1-CG 3.69Å; I51-E54 HydrophobicContact CG1-CG 4.24Å; I51-E54 WeakPolarHBondContact O-CB 3.32Å; I51-E54 WeakPolarHBondContact O-CG 3.41Å; I51-E54 PolarHBondContact O-N 2.89Å; E52-E54 PolarHBondContact O-N 2.96Å; E54-Y58 HydrophobicContact CB-CD1 3.52Å; E54-Y58 HydrophobicContact CB-CD2 4.47Å; E54-Y58 HydrophobicContact CB-CE1 4.15Å; E54-Y58 HydrophobicContact CB-CG 3.72Å; E54-Y58 HydrophobicContact CG-CD1 4.01Å; E54-Y58 HydrophobicContact CG-CD2 4.37Å; E54-Y58 HydrophobicContact CG-CE1 4.22Å; E54-Y58 HydrophobicContact CG-CG 4.09Å; E54-W59 PolarHBondContact O-NE1 2.99Å; E54-R169 IonicContact OE1-CZ 3.46Å; E54-R169 IonicContact OE1-NE 3.37Å; E54-R169 PolarHBondContact OE1-NE 3.44Å; E54-R169 IonicContact OE1-NH2 3.26Å; E54-R169 PolarHBondContact OE1-NH2 3.1Å; E54-R169 IonicContact OE2-CZ 3.53Å; E54-R169 IonicContact OE2-NE 2.73Å; E54-R169 IonicContact OE2-NH2 2.77Å; E54-R169 PolarHBondContact OE2-NH2 2.77Å; E54-N173 PolarHBondContact OE1-ND2 3.28Å
55	G	96.9	Very high	97.5	Very high	36 Å²	36	66.1 Å²	66.1	37%	0.371	33%	0.33	S	S	.	.			trans	-70.6	168.9	-175.5	0	0	0	0	0	114.3	E57 Y58 W59	G55-E57 PolarHBondContact O-N 3.38Å; G55-Y58 WeakPolarHBondContact O-CB 3.26Å; G55-Y58 PolarHBondContact O-N 2.71Å; G55-W59 VanDerWaalsContact O-CD1 3.29Å; G55-W59 PolarHBondContact O-N 3.05Å
56	P	97.5	Very high	97.5	Very high	99 Å²	99	63.4 Å²	63.4	64%	0.643	32%	0.317	S	S	*	.	H	α-helix	trans	-57.4	-35.3	-177.5	22.5	-33.6	0	0	0	113.4	Y58 W59 D60	P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 3.35Å; P56-W59 PolarHBondContact O-N 3.43Å; P56-W59 VanDerWaalsContact O-N 3.15Å; P56-D60 WeakPolarHBondContact O-CB 3.27Å; P56-D60 PolarHBondContact O-N 2.95Å
57	E	97.9	Very high	97.5	Very high	163 Å²	163	65.2 Å²	65.2	76%	0.762	32%	0.32	S	S	*	.	H	α-helix	trans	-59.6	-36.4	177.6	-64.7	-175.2	175.4	0	0	112.9	G55 R61	G55-E57 PolarHBondContact O-N 3.38Å; E57-R61 WeakPolarHBondContact O-CB 3.18Å; E57-R61 PolarHBondContact O-N 2.72Å
58	Y	97.9	Very high	97.6	Very high	10 Å²	10	63.1 Å²	63.1	4%	0.039	33%	0.325	C	S	.	.	H	α-helix	trans	-63.7	-49.5	175.4	170.8	-92.2	0	0	0	110.4	I51 E54 G55 P56 R61 N62 W166 Y170	I51-Y58 HydrophobicContact CD1-CE1 4.21Å; I51-Y58 HydrophobicContact CG1-CE1 4.2Å; E54-Y58 HydrophobicContact CB-CD1 3.52Å; E54-Y58 HydrophobicContact CB-CD2 4.47Å; E54-Y58 HydrophobicContact CB-CE1 4.15Å; E54-Y58 HydrophobicContact CB-CG 3.72Å; E54-Y58 HydrophobicContact CG-CD1 4.01Å; E54-Y58 HydrophobicContact CG-CD2 4.37Å; E54-Y58 HydrophobicContact CG-CE1 4.22Å; E54-Y58 HydrophobicContact CG-CG 4.09Å; G55-Y58 WeakPolarHBondContact O-CB 3.26Å; G55-Y58 PolarHBondContact O-N 2.71Å; P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 3.35Å; Y58-R61 PolarHBondContact O-N 3.07Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.22Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.25Å; Y58-N62 WeakPolarHBondContact O-CB 3.45Å; Y58-N62 PolarHBondContact O-N 3.48Å; Y58-N62 PolarHBondContact O-ND2 2.84Å; Y58-W166 AromaticContact CD2-CH2 3.7Å; Y58-W166 HydrophobicContact CD2-CH2 3.7Å; Y58-W166 HydrophobicContact CD2-CZ2 4.42Å; Y58-W166 AromaticContact CD2-CZ3 3.8Å; Y58-W166 HydrophobicContact CD2-CZ3 3.8Å; Y58-W166 HydrophobicContact CE2-CE3 4.23Å; Y58-W166 HydrophobicContact CE2-CH2 4.09Å; Y58-W166 AromaticContact CE2-CZ3 3.81Å; Y58-W166 HydrophobicContact CE2-CZ3 3.81Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.46Å; Y58-Y170 PolarHBondContact OH-OH 2.87Å
59	W	98.4	Very high	97.7	Very high	40 Å²	40	64.9 Å²	64.9	15%	0.152	33%	0.332	C	S	.	.	H	α-helix	trans	-65.7	-41.3	-178.6	-64.1	110.8	0	0	0	112.3	V33 M44 P46 I51 E54 G55 P56 T63	V33-W59 HydrophobicContact CG1-CH2 4.15Å; V33-W59 HydrophobicContact CG1-CZ3 3.94Å; M44-W59 HydrophobicContact CB-CE3 4.27Å; M44-W59 HydrophobicContact CG-CE3 4.12Å; M44-W59 HydrophobicContact CG-CZ3 3.98Å; P46-W59 HydrophobicContact CB-CH2 3.61Å; P46-W59 HydrophobicContact CB-CZ2 4.02Å; P46-W59 HydrophobicContact CB-CZ3 4.47Å; P46-W59 HydrophobicContact CG-CH2 4.23Å; P46-W59 HydrophobicContact CG-CZ2 4.45Å; I51-W59 HydrophobicContact CG1-CH2 3.84Å; I51-W59 HydrophobicContact CG1-CZ2 4.1Å; I51-W59 HydrophobicContact CG2-CH2 4.03Å; I51-W59 HydrophobicContact CG2-CZ2 4.43Å; I51-W59 WeakPolarHBondContact O-CZ2 3.38Å; E54-W59 PolarHBondContact O-NE1 2.99Å; G55-W59 VanDerWaalsContact O-CD1 3.29Å; G55-W59 PolarHBondContact O-N 3.05Å; P56-W59 PolarHBondContact O-N 3.43Å; P56-W59 VanDerWaalsContact O-N 3.15Å; W59-T63 VanDerWaalsContact O-CB 3.23Å; W59-T63 WeakPolarHBondContact O-CB 3.04Å; W59-T63 PolarHBondContact O-N 3.41Å; W59-T63 PolarHBondContact O-OG1 2.63Å
60	D	98.3	Very high	97.7	Very high	84 Å²	84	61 Å²	61	45%	0.449	31%	0.307	S	S	.	.	H	α-helix	trans	-67.5	-42.1	177.6	-76.3	-21	0	0	0	112	P56 R64	P56-D60 WeakPolarHBondContact O-CB 3.27Å; P56-D60 PolarHBondContact O-N 2.95Å; D60-R64 WeakPolarHBondContact O-CB 3.48Å; D60-R64 WeakPolarHBondContact O-CG 3.37Å; D60-R64 PolarHBondContact O-N 2.93Å; D60-R64 PolarHBondContact O-NE 3.31Å
61	R	98.1	Very high	97.8	Very high	94 Å²	94	64.8 Å²	64.8	36%	0.355	33%	0.326	S	S	.	.	H	α-helix	trans	-63.7	-49.4	175.9	-175.3	-175.2	66.7	-162	-3.8	111	E57 Y58 T63 R64 N65	E57-R61 WeakPolarHBondContact O-CB 3.18Å; E57-R61 PolarHBondContact O-N 2.72Å; Y58-R61 PolarHBondContact O-N 3.07Å; R61-T63 VanDerWaalsContact C-N 3.34Å; R61-T63 PolarHBondContact O-N 2.94Å; R61-R64 PolarHBondContact O-N 2.93Å; R61-N65 VanDerWaalsContact O-CG 3.23Å; R61-N65 PolarHBondContact O-N 2.94Å; R61-N65 PolarHBondContact O-OD1 3.4Å
62	N	98	Very high	97.8	Very high	20 Å²	20	68 Å²	68	11%	0.107	35%	0.345	C	S	.	.	H	α-helix	trans	-65	-39.2	-179.6	-77.5	-71	0	0	0	112	M44 Y58 R64 N65 V66	M44-N62 HydrophobicContact CB-CB 4.28Å; M44-N62 HydrophobicContact CE-CB 4.42Å; M44-N62 HydrophobicContact CG-CB 4.2Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.22Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.25Å; Y58-N62 WeakPolarHBondContact O-CB 3.45Å; Y58-N62 PolarHBondContact O-N 3.48Å; Y58-N62 PolarHBondContact O-ND2 2.84Å; N62-R64 PolarHBondContact O-N 2.86Å; N62-N65 PolarHBondContact O-N 3.01Å; N62-V66 WeakPolarHBondContact O-CG2 3.18Å; N62-V66 PolarHBondContact O-N 2.88Å
63	T	98.6	Very high	97.8	Very high	13 Å²	13	62 Å²	62	8%	0.08	32%	0.318	C	S	.	.	H	α-helix	trans	-60.5	-44.7	173.8	-63.1	0	0	0	0	111.5	R43 M44 W59 R61 V66 K67	R43-T63 HydrophobicContact CG-CG2 4.14Å; M44-T63 PolarHBondContact N-OG1 3.41Å; W59-T63 VanDerWaalsContact O-CB 3.23Å; W59-T63 WeakPolarHBondContact O-CB 3.04Å; W59-T63 PolarHBondContact O-N 3.41Å; W59-T63 PolarHBondContact O-OG1 2.63Å; R61-T63 VanDerWaalsContact C-N 3.34Å; R61-T63 PolarHBondContact O-N 2.94Å; T63-V66 WeakPolarHBondContact O-CG2 3.34Å; T63-K67 HydrophobicContact CG2-CD 4.23Å; T63-K67 WeakPolarHBondContact O-CB 3.39Å; T63-K67 WeakPolarHBondContact O-CG 3.02Å; T63-K67 PolarHBondContact O-N 2.89Å
64	R	98.4	Very high	97.9	Very high	163 Å²	163	61.3 Å²	61.3	62%	0.615	31%	0.31	S	S	*	.	H	α-helix	trans	-61.7	-43.9	176	-78.5	-177.1	-72.3	139.4	-8.8	111.9	D60 R61 N62 K67 A68	D60-R64 WeakPolarHBondContact O-CB 3.48Å; D60-R64 WeakPolarHBondContact O-CG 3.37Å; D60-R64 PolarHBondContact O-N 2.93Å; D60-R64 PolarHBondContact O-NE 3.31Å; R61-R64 PolarHBondContact O-N 2.93Å; N62-R64 PolarHBondContact O-N 2.86Å; R64-K67 PolarHBondContact O-N 3.32Å; R64-A68 WeakPolarHBondContact O-CB 3.29Å; R64-A68 PolarHBondContact O-N 3.29Å
65	N	97.8	Very high	97.9	Very high	86 Å²	86	64.9 Å²	64.9	46%	0.46	33%	0.332	S	S	.	.	H	α-helix	trans	-61.2	-48.5	179.9	-68.6	-4.9	0	0	0	111.9	R61 N62 K67 A68 Q69	R61-N65 VanDerWaalsContact O-CG 3.23Å; R61-N65 PolarHBondContact O-N 2.94Å; R61-N65 PolarHBondContact O-OD1 3.4Å; N62-N65 PolarHBondContact O-N 3.01Å; N65-K67 VanDerWaalsContact C-N 3.34Å; N65-K67 PolarHBondContact O-N 2.9Å; N65-A68 PolarHBondContact O-N 3Å; N65-Q69 PolarHBondContact O-N 3.03Å
66	V	98.1	Very high	98	Very high	2 Å²	2	66 Å²	66	1%	0.012	33%	0.33	C	S	.	.	H	α-helix	trans	-69.4	-31	179.3	-63.8	0	0	0	0	113.1	F21 A23 F35 M44 N62 T63 Q69 S70	F21-V66 HydrophobicContact CE1-CB 4.07Å; A23-V66 HydrophobicContact CB-CG1 4.2Å; F35-V66 HydrophobicContact CB-CG2 4.04Å; F35-V66 HydrophobicContact CD1-CG2 4.16Å; F35-V66 HydrophobicContact CD2-CG2 3.39Å; F35-V66 HydrophobicContact CE2-CG2 3.78Å; F35-V66 HydrophobicContact CG-CB 4.32Å; F35-V66 HydrophobicContact CG-CG2 3.6Å; F35-V66 HydrophobicContact CZ-CG2 4.33Å; M44-V66 HydrophobicContact CE-CB 4.38Å; M44-V66 HydrophobicContact CE-CG1 3.34Å; M44-V66 HydrophobicContact CE-CG2 4.19Å; N62-V66 WeakPolarHBondContact O-CG2 3.18Å; N62-V66 PolarHBondContact O-N 2.88Å; T63-V66 WeakPolarHBondContact O-CG2 3.34Å; V66-Q69 PolarHBondContact O-N 3.45Å; V66-S70 WeakPolarHBondContact O-CB 3.39Å; V66-S70 PolarHBondContact O-N 2.91Å
67	K	98.3	Very high	98	Very high	83 Å²	83	61.7 Å²	61.7	36%	0.361	30%	0.301	S	S	.	.	H	α-helix	trans	-66.4	-41.7	171.4	-75.8	-173.7	179.2	-172.3	0	111.9	F35 Q42 T63 R64 N65 S70 Q71	F35-K67 HydrophobicContact CE2-CG 4.21Å; F35-K67 HydrophobicContact CZ-CG 4.07Å; Q42-K67 WeakPolarHBondContact O-CE 3.49Å; Q42-K67 PolarHBondContact O-NZ 2.79Å; Q42-K67 VanDerWaalsContact O-NZ 3.08Å; T63-K67 HydrophobicContact CG2-CD 4.23Å; T63-K67 WeakPolarHBondContact O-CB 3.39Å; T63-K67 WeakPolarHBondContact O-CG 3.02Å; T63-K67 PolarHBondContact O-N 2.89Å; R64-K67 PolarHBondContact O-N 3.32Å; N65-K67 VanDerWaalsContact C-N 3.34Å; N65-K67 PolarHBondContact O-N 2.9Å; K67-S70 PolarHBondContact O-N 3.05Å; K67-Q71 WeakPolarHBondContact O-CG 3.35Å; K67-Q71 PolarHBondContact O-N 3Å; K67-Q71 VanDerWaalsContact O-N 3.12Å
68	A	98.3	Very high	97.9	Very high	58 Å²	58	55.6 Å²	55.6	48%	0.479	28%	0.282	S	S	.	.	H	α-helix	trans	-63.5	-41.9	175.2	0	0	0	0	0	111.6	R64 N65 Q71 T72	R64-A68 WeakPolarHBondContact O-CB 3.29Å; R64-A68 PolarHBondContact O-N 3.29Å; N65-A68 PolarHBondContact O-N 3Å; A68-Q71 PolarHBondContact O-N 2.86Å; A68-T72 PolarHBondContact O-N 3.15Å; A68-T72 PolarHBondContact O-OG1 2.95Å
69	Q	98.1	Very high	97.8	Very high	41 Å²	41	57.5 Å²	57.5	19%	0.192	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-45.1	174.2	-172.5	66.9	54.2	0	0	111.6	Y8 F21 N65 V66 Q71 T72 D73	Y8-Q69 HydrophobicContact CD2-CG 3.62Å; Y8-Q69 HydrophobicContact CE2-CB 4.27Å; Y8-Q69 HydrophobicContact CE2-CG 3.71Å; F21-Q69 HydrophobicContact CE2-CB 4.37Å; F21-Q69 HydrophobicContact CE2-CG 3.95Å; F21-Q69 HydrophobicContact CZ-CB 4.24Å; F21-Q69 HydrophobicContact CZ-CG 4.11Å; N65-Q69 PolarHBondContact O-N 3.03Å; V66-Q69 PolarHBondContact O-N 3.45Å; Q69-Q71 PolarHBondContact O-N 2.84Å; Q69-T72 CarbonylContact O-C 3.59Å; Q69-T72 WeakPolarHBondContact O-CA 3.45Å; Q69-T72 WeakPolarHBondContact O-CB 3.41Å; Q69-T72 PolarHBondContact O-N 2.87Å; Q69-D73 PolarHBondContact NE2-OD1 2.93Å; Q69-D73 PolarHBondContact O-N 2.89Å
70	S	97.8	Very high	97.8	Very high	19 Å²	19	56.1 Å²	56.1	13%	0.133	29%	0.29	C	S	.	.	H	α-helix	trans	-56	-37.6	176.5	170.4	0	0	0	0	112.9	F21 V66 K67 R74	F21-S70 WeakPolarHBondContact CB-OG 3.49Å; V66-S70 WeakPolarHBondContact O-CB 3.39Å; V66-S70 PolarHBondContact O-N 2.91Å; K67-S70 PolarHBondContact O-N 3.05Å; S70-R74 PolarHBondContact O-N 2.73Å; S70-R74 VanDerWaalsContact O-N 3.13Å
71	Q	97.8	Very high	97.7	Very high	96 Å²	96	55.6 Å²	55.6	45%	0.449	28%	0.282	S	S	.	.	H	α-helix	trans	-71.2	-35.4	174.4	-65.3	-55.3	-53.3	0	0	112.7	K67 A68 Q69 R74 V75	K67-Q71 WeakPolarHBondContact O-CG 3.35Å; K67-Q71 PolarHBondContact O-N 3Å; K67-Q71 VanDerWaalsContact O-N 3.12Å; A68-Q71 PolarHBondContact O-N 2.86Å; Q69-Q71 PolarHBondContact O-N 2.84Å; Q71-R74 WeakPolarHBondContact O-CB 3.37Å; Q71-R74 PolarHBondContact O-N 3.3Å; Q71-V75 PolarHBondContact O-N 3.45Å
72	T	97.9	Very high	97.6	Very high	67 Å²	67	53.1 Å²	53.1	41%	0.411	29%	0.286	S	S	.	.	H	α-helix	trans	-64.1	-51.8	175.1	-55.2	0	0	0	0	110.2	A68 Q69 R74 V75 D76	A68-T72 PolarHBondContact O-N 3.15Å; A68-T72 PolarHBondContact O-OG1 2.95Å; Q69-T72 CarbonylContact O-C 3.59Å; Q69-T72 WeakPolarHBondContact O-CA 3.45Å; Q69-T72 WeakPolarHBondContact O-CB 3.41Å; Q69-T72 PolarHBondContact O-N 2.87Å; T72-R74 PolarHBondContact O-N 2.92Å; T72-V75 PolarHBondContact O-N 2.89Å; T72-D76 PolarHBondContact O-N 3.23Å
73	D	97.6	Very high	97.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-58.8	-34.4	178.1	-74.6	22.9	0	0	0	112.4	S10 Q69 D76 L77	S10-D73 WeakPolarHBondContact CB-OD2 2.94Å; S10-D73 WeakPolarHBondContact OG-CB 3.36Å; S10-D73 PolarHBondContact OG-OD2 3.32Å; Q69-D73 PolarHBondContact NE2-OD1 2.93Å; Q69-D73 PolarHBondContact O-N 2.89Å; D73-D76 PolarHBondContact O-N 2.93Å; D73-L77 WeakPolarHBondContact O-CB 3.13Å; D73-L77 VanDerWaalsContact O-CG 3.31Å; D73-L77 WeakPolarHBondContact O-CG 3.48Å; D73-L77 PolarHBondContact O-N 2.9Å
74	R	97.1	Very high	97.5	Very high	102 Å²	102	57.9 Å²	57.9	39%	0.385	30%	0.302	S	S	.	.	H	α-helix	trans	-60	-46	173.8	178.4	177.5	77.8	161.7	5.6	111.9	E18 P19 S70 Q71 T72 D76	E18-R74 IonicContact OE1-NH1 2.77Å; E18-R74 PolarHBondContact OE1-NH1 3.04Å; E18-R74 WeakPolarHBondContact OE2-CD 3.24Å; E18-R74 IonicContact OE2-CZ 3.59Å; E18-R74 IonicContact OE2-NE 3.75Å; E18-R74 IonicContact OE2-NH1 3.22Å; E18-R74 PolarHBondContact OE2-NH1 3.16Å; P19-R74 HydrophobicContact CG-CB 4.44Å; P19-R74 HydrophobicContact CG-CG 4.11Å; S70-R74 PolarHBondContact O-N 2.73Å; S70-R74 VanDerWaalsContact O-N 3.13Å; Q71-R74 WeakPolarHBondContact O-CB 3.37Å; Q71-R74 PolarHBondContact O-N 3.3Å; T72-R74 PolarHBondContact O-N 2.92Å; R74-D76 VanDerWaalsContact C-N 3.35Å
75	V	97.4	Very high	97.4	Very high	87 Å²	87	57.3 Å²	57.3	53%	0.527	31%	0.311	S	S	.	.	H	α-helix	trans	-68.8	-39.7	178.2	176.2	0	0	0	0	110.2	Q71 T72 L77 G78 T79	Q71-V75 PolarHBondContact O-N 3.45Å; T72-V75 PolarHBondContact O-N 2.89Å; V75-L77 PolarHBondContact O-N 2.99Å; V75-G78 PolarHBondContact O-N 2.8Å; V75-T79 PolarHBondContact O-N 3.47Å; V75-T79 PolarHBondContact O-OG1 2.86Å
76	D	97.8	Very high	97.3	Very high	59 Å²	59	56.2 Å²	56.2	32%	0.316	30%	0.303	S	S	.	.	H	α-helix	trans	-66	-37.2	179.5	-70	-19.1	0	0	0	111.9	T72 D73 R74 G78 T79 L80 I94	T72-D76 PolarHBondContact O-N 3.23Å; D73-D76 PolarHBondContact O-N 2.93Å; R74-D76 VanDerWaalsContact C-N 3.35Å; D76-G78 VanDerWaalsContact C-N 3.27Å; D76-G78 PolarHBondContact O-N 3.14Å; D76-T79 PolarHBondContact O-N 3.23Å; D76-T79 VanDerWaalsContact O-N 3.1Å; D76-L80 WeakPolarHBondContact O-CB 3.31Å; D76-L80 VanDerWaalsContact O-CG 3.3Å; D76-L80 WeakPolarHBondContact O-CG 3.32Å; D76-L80 PolarHBondContact O-N 2.81Å; D76-I94 HydrophobicContact CB-CD1 3.67Å
77	L	97.7	Very high	97.1	Very high	8 Å²	8	59.8 Å²	59.8	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-56.9	-41.7	173.7	-82	165.9	0	0	0	111.8	P19 D73 V75 R81 H92 I94 Y117	P19-L77 HydrophobicContact CB-CD1 3.6Å; P19-L77 HydrophobicContact CG-CD1 3.66Å; D73-L77 WeakPolarHBondContact O-CB 3.13Å; D73-L77 VanDerWaalsContact O-CG 3.31Å; D73-L77 WeakPolarHBondContact O-CG 3.48Å; D73-L77 PolarHBondContact O-N 2.9Å; V75-L77 PolarHBondContact O-N 2.99Å; L77-R81 VanDerWaalsContact O-CB 3.28Å; L77-R81 WeakPolarHBondContact O-CB 3.43Å; L77-R81 PolarHBondContact O-N 3.4Å; L77-H92 HydrophobicContact CD2-CB 4.08Å; L77-I94 HydrophobicContact CB-CD1 4.41Å; L77-I94 HydrophobicContact CD2-CD1 3.98Å; L77-I94 HydrophobicContact CD2-CG1 3.78Å; L77-I94 HydrophobicContact CG-CD1 3.75Å; L77-I94 HydrophobicContact CG-CG1 4.1Å; L77-Y117 HydrophobicContact CD2-CE2 4.38Å
78	G	95.8	Very high	96.8	Very high	35 Å²	35	62.3 Å²	62.3	36%	0.361	34%	0.341	S	S	.	.	H	α-helix	trans	-69.7	-39.1	175.3	0	0	0	0	0	112.8	V75 D76 G82	V75-G78 PolarHBondContact O-N 2.8Å; D76-G78 VanDerWaalsContact C-N 3.27Å; D76-G78 PolarHBondContact O-N 3.14Å; G78-G82 PolarHBondContact O-N 3.16Å; G78-G82 VanDerWaalsContact O-N 3.17Å
79	T	97.1	Very high	96.4	Very high	50 Å²	50	63.9 Å²	63.9	31%	0.307	35%	0.354	S	S	.	.	H	α-helix	trans	-65.9	-48.9	179.3	-59.6	0	0	0	0	111.6	V75 D76 G82 Y83	V75-T79 PolarHBondContact O-N 3.47Å; V75-T79 PolarHBondContact O-OG1 2.86Å; D76-T79 PolarHBondContact O-N 3.23Å; D76-T79 VanDerWaalsContact O-N 3.1Å; T79-G82 WeakPolarHBondContact O-CA 3.19Å; T79-G82 PolarHBondContact O-N 3.47Å; T79-G82 VanDerWaalsContact O-N 3.13Å; T79-Y83 HydrophobicContact CG2-CD1 4.41Å; T79-Y83 HydrophobicContact CG2-CD2 4.44Å; T79-Y83 HydrophobicContact CG2-CE1 3.84Å; T79-Y83 HydrophobicContact CG2-CE2 3.87Å; T79-Y83 PolarHBondContact O-N 2.85Å
80	L	97.6	Very high	96.2	Very high	11 Å²	11	63 Å²	63	6%	0.058	36%	0.356	C	S	.	.	H	α-helix	trans	-63.4	-44.3	179.2	-68	175.3	0	0	0	111.2	D76 G82 Y83 Y84 I94 Y117 Y122	D76-L80 WeakPolarHBondContact O-CB 3.31Å; D76-L80 VanDerWaalsContact O-CG 3.3Å; D76-L80 WeakPolarHBondContact O-CG 3.32Å; D76-L80 PolarHBondContact O-N 2.81Å; L80-G82 PolarHBondContact O-N 3Å; L80-Y83 HydrophobicContact CD2-CD2 4.28Å; L80-Y83 PolarHBondContact O-N 2.9Å; L80-Y84 HydrophobicContact CD2-CE2 4.48Å; L80-Y84 VanDerWaalsContact O-CD2 3.24Å; L80-Y84 WeakPolarHBondContact O-CD2 3.4Å; L80-Y84 PolarHBondContact O-N 3.27Å; L80-I94 HydrophobicContact CD1-CD1 3.59Å; L80-I94 HydrophobicContact CD1-CG1 3.69Å; L80-Y117 HydrophobicContact CB-CD1 4.41Å; L80-Y117 HydrophobicContact CB-CD2 4.14Å; L80-Y117 HydrophobicContact CB-CE1 4.06Å; L80-Y117 HydrophobicContact CB-CE2 3.77Å; L80-Y117 HydrophobicContact CB-CG 4.43Å; L80-Y117 HydrophobicContact CD1-CD2 3.45Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.45Å; L80-Y117 HydrophobicContact CD1-CE2 3.83Å; L80-Y117 HydrophobicContact CD1-CG 3.88Å; L80-Y117 HydrophobicContact CG-CD2 4.41Å; L80-Y117 HydrophobicContact CG-CE2 4.47Å; L80-Y122 HydrophobicContact CD2-CD2 4.33Å; L80-Y122 HydrophobicContact CD2-CE1 3.82Å; L80-Y122 HydrophobicContact CD2-CE2 3.57Å; L80-Y122 VanDerWaalsContact CD2-OH 3.29Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.46Å
81	R	96.4	Very high	96.1	Very high	73 Å²	73	65.5 Å²	65.5	28%	0.275	37%	0.374	S	S	.	.	H	α-helix	trans	-53	-41.5	173.2	-174.2	-173	68.1	178.1	11.1	111.7	L77 N85 Q86 E88 Y117	L77-R81 VanDerWaalsContact O-CB 3.28Å; L77-R81 WeakPolarHBondContact O-CB 3.43Å; L77-R81 PolarHBondContact O-N 3.4Å; R81-N85 PolarHBondContact O-N 2.91Å; R81-N85 VanDerWaalsContact O-N 3.13Å; R81-Q86 HydrophobicContact CG-CB 3.83Å; R81-Q86 PolarHBondContact O-N 3.31Å; R81-E88 IonicContact CZ-OE1 3.76Å; R81-E88 IonicContact NH1-OE1 3.97Å; R81-E88 IonicContact NH2-OE1 2.89Å; R81-E88 PolarHBondContact NH2-OE1 2.94Å; R81-Y117 PolarHBondContact N-OH 2.86Å
82	G	96.2	Very high	96.2	Very high	42 Å²	42	61.6 Å²	61.6	43%	0.433	36%	0.355	S	S	.	.	H	α-helix	trans	-65.4	-47.2	174.8	0	0	0	0	0	113.2	G78 T79 L80 Y84 N85	G78-G82 PolarHBondContact O-N 3.16Å; G78-G82 VanDerWaalsContact O-N 3.17Å; T79-G82 WeakPolarHBondContact O-CA 3.19Å; T79-G82 PolarHBondContact O-N 3.47Å; T79-G82 VanDerWaalsContact O-N 3.13Å; L80-G82 PolarHBondContact O-N 3Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 2.89Å; G82-N85 PolarHBondContact O-N 3.38Å; G82-N85 VanDerWaalsContact O-N 3.12Å; G82-N85 PolarHBondContact O-OD1 2.82Å
83	Y	97	Very high	96.2	Very high	67 Å²	67	60 Å²	60	26%	0.263	35%	0.346	S	S	.	.	H	α-helix	trans	-59.8	-36.1	178.2	-68.7	-8.7	0	0	0	112.9	T79 L80 T141 K145	T79-Y83 HydrophobicContact CG2-CD1 4.41Å; T79-Y83 HydrophobicContact CG2-CD2 4.44Å; T79-Y83 HydrophobicContact CG2-CE1 3.84Å; T79-Y83 HydrophobicContact CG2-CE2 3.87Å; T79-Y83 PolarHBondContact O-N 2.85Å; L80-Y83 HydrophobicContact CD2-CD2 4.28Å; L80-Y83 PolarHBondContact O-N 2.9Å; Y83-T141 HydrophobicContact CE1-CG2 4.25Å; Y83-T141 HydrophobicContact CE2-CG2 4.09Å; Y83-K145 PolarHBondContact OH-NZ 3.35Å
84	Y	97.2	Very high	96.2	Very high	66 Å²	66	60.4 Å²	60.4	26%	0.259	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	3.2	179.1	-69.9	-72.3	0	0	0	114.1	L80 G82 Q86 Y117 Y122 D136 A138	L80-Y84 HydrophobicContact CD2-CE2 4.48Å; L80-Y84 VanDerWaalsContact O-CD2 3.24Å; L80-Y84 WeakPolarHBondContact O-CD2 3.4Å; L80-Y84 PolarHBondContact O-N 3.27Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 2.89Å; Y84-Q86 PolarHBondContact O-N 2.97Å; Y84-Y117 AromaticContact CD2-CD1 3.71Å; Y84-Y117 HydrophobicContact CD2-CD1 3.71Å; Y84-Y117 AromaticContact CD2-CE1 3.5Å; Y84-Y117 HydrophobicContact CD2-CE1 3.5Å; Y84-Y117 AromaticContact CE2-CD1 3.52Å; Y84-Y117 HydrophobicContact CE2-CD1 3.52Å; Y84-Y117 AromaticContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CE2-CG 4.48Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Y84-Y122 HydrophobicContact CE2-CD2 4.37Å; Y84-Y122 HydrophobicContact CE2-CE2 4.08Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.44Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.35Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.23Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.41Å; Y84-D136 VanDerWaalsContact OH-CG 3.24Å; Y84-D136 PolarHBondContact OH-OD1 3.19Å; Y84-D136 VanDerWaalsContact OH-OD1 3.13Å; Y84-D136 PolarHBondContact OH-OD2 3.48Å; Y84-A138 HydrophobicContact CD1-CB 4.18Å; Y84-A138 HydrophobicContact CD2-CB 4.43Å; Y84-A138 HydrophobicContact CE1-CB 3.62Å; Y84-A138 HydrophobicContact CE2-CB 3.89Å; Y84-A138 VanDerWaalsContact CZ-CB 3.46Å
85	N	96.1	Very high	96.3	Very high	151 Å²	151	59.3 Å²	59.3	81%	0.807	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	40.2	-177.4	-58.6	-58.6	0	0	0	113.4	R81 G82	R81-N85 PolarHBondContact O-N 2.91Å; R81-N85 VanDerWaalsContact O-N 3.13Å; G82-N85 PolarHBondContact O-N 3.38Å; G82-N85 VanDerWaalsContact O-N 3.12Å; G82-N85 PolarHBondContact O-OD1 2.82Å
86	Q	96.4	Very high	96.4	Very high	63 Å²	63	55.4 Å²	55.4	29%	0.294	32%	0.323	S	S	.	.			trans	-87.9	155.2	-177.4	-70.2	166	-37	0	0	111.9	R81 Y84 H92 Y117 D118	R81-Q86 HydrophobicContact CG-CB 3.83Å; R81-Q86 PolarHBondContact O-N 3.31Å; Y84-Q86 PolarHBondContact O-N 2.97Å; Q86-H92 PolarHBondContact NE2-CE1 2.03Å; Q86-H92 PolarHBondContact OE1-CE1 3.03Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.23Å; Q86-Y117 PolarHBondContact OE1-OH 2.86Å; Q86-D118 PolarHBondContact NE2-OD2 2.81Å
87	S	94.1	Very high	96.4	Very high	77 Å²	77	53.9 Å²	53.9	54%	0.538	31%	0.314	S	S	.	.			trans	-75.2	153.7	-177.4	75.5	0	0	0	0	112.5	A89 G90	S87-A89 PolarHBondContact O-N 3.28Å; S87-G90 PolarHBondContact O-N 2.89Å
88	E	90.5	Very high	96.5	Very high	137 Å²	137	54.3 Å²	54.3	64%	0.64	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-19.1	178.6	-55.6	-154.7	125.5	0	0	113.9	P14 R81 G90	P14-E88 WeakPolarHBondContact CB-O 3.45Å; P14-E88 WeakPolarHBondContact CG-O 3.49Å; R81-E88 IonicContact CZ-OE1 3.76Å; R81-E88 IonicContact NH1-OE1 3.97Å; R81-E88 IonicContact NH2-OE1 2.89Å; R81-E88 PolarHBondContact NH2-OE1 2.94Å; E88-G90 VanDerWaalsContact C-N 3.3Å
89	A	91.5	Very high	96.6	Very high	90 Å²	90	52.7 Å²	52.7	74%	0.744	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-16.1	179	0	0	0	0	0	112.8	S87	S87-A89 PolarHBondContact O-N 3.28Å
90	G	92.8	Very high	96.7	Very high	22 Å²	22	50.3 Å²	50.3	23%	0.227	28%	0.284	C	S	.	.	S	Bend	trans	-73.6	134.3	179.4	0	0	0	0	0	112.8	P14 S87 E88 H92	P14-G90 WeakPolarHBondContact CG-O 3.29Å; S87-G90 PolarHBondContact O-N 2.89Å; E88-G90 VanDerWaalsContact C-N 3.3Å; G90-H92 PolarHBondContact O-CD2 2.88Å; G90-H92 VanDerWaalsContact O-CD2 3.23Å
91	S	96.9	Very high	96.7	Very high	73 Å²	73	51.1 Å²	51.1	51%	0.51	29%	0.288	S	S	.	.			trans	-82	134.8	164.5	-178.8	0	0	0	0	109	S12	S12-S91 PolarHBondContact O-OG 2.94Å
92	H	98.1	Very high	96.8	Very high	14 Å²	14	47.7 Å²	47.7	7%	0.065	28%	0.275	C	S	.	.			trans	-131.5	151.4	-175.4	-64.6	-71.4	0	0	0	110.6	V11 S12 L77 Q86 G90 Y117 D118	V11-H92 WeakPolarHBondContact CA-O 3.39Å; S12-H92 PolarHBondContact N-O 3.4Å; S12-H92 PolarHBondContact OG-N 3.44Å; S12-H92 PolarHBondContact OG-O 3.32Å; L77-H92 HydrophobicContact CD2-CB 4.08Å; Q86-H92 PolarHBondContact NE2-CE1 2.03Å; Q86-H92 PolarHBondContact OE1-CE1 3.03Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.23Å; G90-H92 PolarHBondContact O-CD2 2.88Å; G90-H92 VanDerWaalsContact O-CD2 3.23Å; H92-Y117 HydrophobicContact CB-CE2 3.87Å; H92-Y117 WeakPolarHBondContact CB-OH 3.45Å; H92-Y117 VanDerWaalsContact CG-OH 3.24Å; H92-Y117 AromaticContact ND1-CZ 3.93Å; H92-Y117 PolarHBondContact ND1-OH 3.32Å; H92-D118 WeakPolarHBondContact CA-OD1 3.28Å; H92-D118 IonicContact CE1-OD2 3.78Å; H92-D118 IonicContact CG-OD1 2.7Å; H92-D118 IonicContact CG-OD2 3.71Å; H92-D118 IonicContact ND1-OD1 3.48Å; H92-D118 IonicContact ND1-OD2 3.67Å; H92-D118 PolarHBondContact ND1-OD2 2.85Å
93	T	98.6	Very high	96.9	Very high	34 Å²	34	46.1 Å²	46.1	21%	0.209	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.7	-175.7	-52.4	0	0	0	0	111.2	T9 S10 V11 Q95 Y117 D118	T9-T93 HydrophobicContact CG2-CG2 3.9Å; S10-T93 CarbonylContact O-C 3.55Å; S10-T93 VanDerWaalsContact O-CA 3.27Å; S10-T93 WeakPolarHBondContact O-CA 3.39Å; V11-T93 HydrophobicContact CG2-CG2 4.14Å; T93-Q95 HydrophobicContact CG2-CG 3.93Å; T93-Y117 CarbonylContact O-C 3.59Å; T93-Y117 WeakPolarHBondContact O-CA 3.32Å; T93-Y117 VanDerWaalsContact O-CD2 3.27Å; T93-Y117 WeakPolarHBondContact O-CD2 3.31Å; T93-D118 PolarHBondContact N-OD1 2.92Å; T93-D118 PolarHBondContact O-N 3.13Å
94	I	98.8	Very high	96.7	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.036	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	134.2	163.4	-65.8	173.8	0	0	0	108	T9 S10 D76 L77 L80 I96 A116 Y117	T9-I94 WeakPolarHBondContact CA-O 3.23Å; S10-I94 PolarHBondContact N-O 2.91Å; S10-I94 PolarHBondContact O-N 2.99Å; D76-I94 HydrophobicContact CB-CD1 3.67Å; L77-I94 HydrophobicContact CB-CD1 4.41Å; L77-I94 HydrophobicContact CD2-CD1 3.98Å; L77-I94 HydrophobicContact CD2-CG1 3.78Å; L77-I94 HydrophobicContact CG-CD1 3.75Å; L77-I94 HydrophobicContact CG-CG1 4.1Å; L80-I94 HydrophobicContact CD1-CD1 3.59Å; L80-I94 HydrophobicContact CD1-CG1 3.69Å; I94-I96 HydrophobicContact CG2-CD1 4.27Å; I94-I96 HydrophobicContact CG2-CG1 4.07Å; I94-A116 WeakPolarHBondContact CA-O 3.43Å; I94-Y117 HydrophobicContact CG1-CD2 3.88Å; I94-Y117 HydrophobicContact CG1-CE2 4.29Å
95	Q	98.8	Very high	96.5	Very high	79 Å²	79	49.5 Å²	49.5	37%	0.369	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.9	172.7	-62.6	171	-96	0	0	109	Y8 T9 T93 D115 A116	Y8-Q95 WeakPolarHBondContact O-CA 3.4Å; T9-Q95 HydrophobicContact CG2-CG 4.18Å; T93-Q95 HydrophobicContact CG2-CG 3.93Å; Q95-D115 CarbonylContact O-C 3.57Å; Q95-D115 VanDerWaalsContact O-CA 3.32Å; Q95-D115 WeakPolarHBondContact O-CA 3.24Å; Q95-A116 HydrophobicContact CB-CB 4.29Å; Q95-A116 PolarHBondContact N-O 3.01Å; Q95-A116 PolarHBondContact O-N 3.29Å
96	I	98.7	Very high	96.4	Very high	5 Å²	5	43 Å²	43	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.8	179.4	-62.9	165.7	0	0	0	108	F7 Y8 I94 Y98 R113 Q114 D115	F7-I96 CarbonylContact C-O 3.6Å; F7-I96 VanDerWaalsContact CA-O 3.3Å; F7-I96 WeakPolarHBondContact CA-O 3Å; Y8-I96 PolarHBondContact N-O 2.93Å; Y8-I96 PolarHBondContact O-N 2.94Å; I94-I96 HydrophobicContact CG2-CD1 4.27Å; I94-I96 HydrophobicContact CG2-CG1 4.07Å; I96-Y98 HydrophobicContact CG2-CD1 4.13Å; I96-R113 VanDerWaalsContact CG2-NH1 3.29Å; I96-Q114 CarbonylContact C-O 3.56Å; I96-Q114 WeakPolarHBondContact CA-O 3.03Å; I96-D115 HydrophobicContact CG1-CB 4.39Å
97	M	98.7	Very high	96.5	Very high	27 Å²	27	47.9 Å²	47.9	13%	0.133	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129.6	168.2	-176.9	-80.8	-67.5	0	0	109.5	Y6 F7 Y112 R113 Q114	Y6-M97 WeakPolarHBondContact O-CA 3.17Å; F7-M97 HydrophobicContact CD1-CB 3.91Å; F7-M97 HydrophobicContact CD1-CG 3.66Å; F7-M97 HydrophobicContact CE1-CB 4.03Å; F7-M97 HydrophobicContact CE1-CG 3.34Å; F7-M97 HydrophobicContact CZ-CG 3.96Å; M97-Y112 HydrophobicContact CE-CD1 4.29Å; M97-Y112 HydrophobicContact CE-CG 4.37Å; M97-Y112 HydrophobicContact SD-CG 4.49Å; M97-R113 CarbonylContact O-C 3.6Å; M97-R113 WeakPolarHBondContact O-CA 3.45Å; M97-Q114 HydrophobicContact CE-CB 4.38Å; M97-Q114 HydrophobicContact CE-CG 4.12Å; M97-Q114 PolarHBondContact N-O 3.32Å; M97-Q114 PolarHBondContact O-N 3.21Å
98	Y	98.8	Very high	96.7	Very high	18 Å²	18	47.1 Å²	47.1	7%	0.071	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	159.4	170.4	71.3	-92.3	0	0	0	111.3	R5 Y6 Y8 I96 Y112 W155 Y158	R5-Y98 WeakPolarHBondContact CA-O 3.22Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.46Å; Y6-Y98 HydrophobicContact CD2-CD2 4.27Å; Y6-Y98 AromaticContact CD2-CE2 3.43Å; Y6-Y98 HydrophobicContact CD2-CE2 3.43Å; Y6-Y98 VanDerWaalsContact CD2-CE2 3.43Å; Y6-Y98 AromaticContact CD2-CZ 3.63Å; Y6-Y98 WeakPolarHBondContact CD2-OH 3.45Å; Y6-Y98 HydrophobicContact CE2-CE2 4.22Å; Y6-Y98 HydrophobicContact CG-CE1 4.36Å; Y6-Y98 AromaticContact CG-CE2 3.97Å; Y6-Y98 HydrophobicContact CG-CE2 3.97Å; Y6-Y98 AromaticContact CG-CZ 3.69Å; Y6-Y98 PolarHBondContact N-O 3.4Å; Y6-Y98 PolarHBondContact O-N 3.3Å; Y6-Y98 VanDerWaalsContact O-N 3.08Å; Y8-Y98 HydrophobicContact CD2-CE1 4.24Å; Y8-Y98 HydrophobicContact CE1-CE1 4.19Å; Y8-Y98 AromaticContact CE2-CE1 3.63Å; Y8-Y98 HydrophobicContact CE2-CE1 3.63Å; Y8-Y98 AromaticContact CZ-CE1 3.62Å; Y8-Y98 AromaticContact CZ-CZ 3.99Å; Y8-Y98 PolarHBondContact OH-OH 2.85Å; I96-Y98 HydrophobicContact CG2-CD1 4.13Å; Y98-Y112 CarbonylContact C-O 3.55Å; Y98-Y112 WeakPolarHBondContact CA-O 3.42Å; Y98-Y112 VanDerWaalsContact CB-O 3.26Å; Y98-Y112 WeakPolarHBondContact CB-O 3.34Å; Y98-W155 HydrophobicContact CD1-CH2 4.28Å; Y98-W155 HydrophobicContact CD1-CZ3 4.46Å; Y98-W155 HydrophobicContact CD2-CH2 4.45Å; Y98-W155 AromaticContact CD2-CZ3 3.88Å; Y98-W155 HydrophobicContact CD2-CZ3 3.88Å; Y98-W155 HydrophobicContact CE2-CZ3 4.43Å; Y98-W155 HydrophobicContact CG-CH2 4.18Å; Y98-W155 AromaticContact CG-CZ3 3.9Å; Y98-W155 HydrophobicContact CG-CZ3 3.9Å; Y98-Y158 AromaticContact CD2-CE1 3.86Å; Y98-Y158 HydrophobicContact CD2-CE1 3.86Å; Y98-Y158 AromaticContact CE2-CE1 3.78Å; Y98-Y158 HydrophobicContact CE2-CE1 3.78Å; Y98-Y158 AromaticContact CE2-CZ 3.99Å
99	G	98.6	Very high	97	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160	-176.4	179.4	0	0	0	0	0	113.8	M4 G111 Y112 L159	M4-G99 CarbonylContact O-C 3.49Å; M4-G99 WeakPolarHBondContact O-CA 3.17Å; G99-G111 CarbonylContact O-C 3.52Å; G99-G111 WeakPolarHBondContact O-CA 3.43Å; G99-Y112 PolarHBondContact N-O 3.02Å; G99-Y112 WeakPolarHBondContact O-CD2 3.38Å; G99-Y112 PolarHBondContact O-N 3.44Å; G99-L159 WeakPolarHBondContact O-CD2 3.47Å
100	C	98.8	Very high	97.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153.4	-175.5	57.5	0	0	0	0	111.7	S3 M4 F108 R110 C163	S3-C100 WeakPolarHBondContact CA-O 3.05Å; M4-C100 PolarHBondContact N-O 3.39Å; M4-C100 PolarHBondContact O-N 2.63Å; C100-F108 HydrophobicContact CB-CD2 4.42Å; C100-F108 HydrophobicContact CB-CE2 4.12Å; C100-R110 CarbonylContact C-O 3.57Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 3.27Å; C100-C163 HydrophobicContact CB-CB 3.89Å; C100-C163 WeakPolarHBondContact CB-SG 3.47Å; C100-C163 PolarHBondContact N-SG 3.27Å; C100-C163 WeakPolarHBondContact SG-CB 3.27Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.84Å
101	D	98.6	Very high	97.6	Very high	29 Å²	29	45 Å²	45	16%	0.155	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	143.4	175.3	-63.5	-1.7	0	0	0	109.9	H2 S3 R5 L109 R110 Y112	H2-D101 CarbonylContact O-C 3.6Å; H2-D101 WeakPolarHBondContact O-CA 3.49Å; S3-D101 WeakPolarHBondContact CB-OD1 3.31Å; R5-D101 IonicContact CZ-OD1 3.53Å; R5-D101 IonicContact NE-OD1 2.69Å; R5-D101 PolarHBondContact NE-OD1 3.2Å; R5-D101 IonicContact NH2-OD1 3.04Å; R5-D101 PolarHBondContact NH2-OD1 3.26Å; R5-D101 IonicContact NH2-OD2 3.88Å; R5-D101 PolarHBondContact NH2-OD2 3.43Å; D101-L109 HydrophobicContact CB-CB 4.39Å; D101-L109 PolarHBondContact O-N 2.82Å; D101-R110 HydrophobicContact CB-CB 4.39Å; D101-R110 PolarHBondContact N-O 3.15Å; D101-R110 PolarHBondContact O-N 2.84Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.4Å; D101-Y112 PolarHBondContact OD2-OH 3.28Å
102	V	98.4	Very high	97.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.6	176.4	-61.4	0	0	0	0	111.8	S1 H2 R107 V164 L167 L171	S1-V102 WeakPolarHBondContact CA-O 3.5Å; S1-V102 VanDerWaalsContact CB-O 3.3Å; S1-V102 WeakPolarHBondContact CB-O 3.5Å; H2-V102 HydrophobicContact CB-CG2 4.01Å; H2-V102 PolarHBondContact N-O 3.2Å; H2-V102 PolarHBondContact O-N 3.02Å; V102-R107 CarbonylContact C-O 3.52Å; V102-R107 WeakPolarHBondContact CA-O 3.39Å; V102-R107 WeakPolarHBondContact CB-O 3.28Å; V102-V164 HydrophobicContact CG1-CB 4.41Å; V102-V164 HydrophobicContact CG1-CG1 3.89Å; V102-V164 HydrophobicContact CG1-CG2 4.08Å; V102-L167 HydrophobicContact CB-CD2 4.35Å; V102-L167 HydrophobicContact CG1-CD2 3.94Å; V102-L167 HydrophobicContact CG2-CD2 3.64Å; V102-L167 HydrophobicContact CG2-CG 4.17Å; V102-L171 HydrophobicContact CG2-CD1 4.46Å
103	G	97.1	Very high	97.7	Very high	9 Å²	9	42.9 Å²	42.9	9%	0.093	22%	0.217	C	C	.	.			trans	-67.5	174.2	173.5	0	0	0	0	0	112.1	D105 G106 R107	G103-D105 PolarHBondContact O-N 3.21Å; G103-G106 WeakPolarHBondContact O-CA 3.15Å; G103-G106 PolarHBondContact O-N 3.02Å; G103-R107 PolarHBondContact N-O 3.42Å
104	S	92.8	Very high	97.6	Very high	120 Å²	120	44.9 Å²	44.9	84%	0.839	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.3	171.7	47.8	0	0	0	0	112.8	G106	S104-G106 PolarHBondContact O-N 2.94Å
105	D	93.8	Very high	97.6	Very high	84 Å²	84	45.4 Å²	45.4	45%	0.449	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	4.6	171.9	61.6	8.8	0	0	0	113.4	G103 R107	G103-D105 PolarHBondContact O-N 3.21Å; D105-R107 PolarHBondContact O-N 2.82Å; D105-R107 WeakPolarHBondContact OD1-CB 3.48Å; D105-R107 PolarHBondContact OD1-N 3.23Å; D105-R107 IonicContact OD1-NE 2.8Å; D105-R107 IonicContact OD2-CZ 3.65Å; D105-R107 IonicContact OD2-NE 3.67Å; D105-R107 PolarHBondContact OD2-NE 3.3Å; D105-R107 IonicContact OD2-NH2 3.28Å; D105-R107 PolarHBondContact OD2-NH2 2.83Å
106	G	94.2	Very high	97.6	Very high	15 Å²	15	42.4 Å²	42.4	16%	0.155	22%	0.216	C	C	.	.			trans	72.1	4.8	-178.8	0	0	0	0	0	114.5	G103 S104 R168	G103-G106 WeakPolarHBondContact O-CA 3.15Å; G103-G106 PolarHBondContact O-N 3.02Å; S104-G106 PolarHBondContact O-N 2.94Å; G106-R168 PolarHBondContact O-NE 2.9Å; G106-R168 PolarHBondContact O-NH2 3.5Å
107	R	97.3	Very high	97.6	Very high	165 Å²	165	42.7 Å²	42.7	62%	0.623	22%	0.216	S	C	*	.			trans	-76.9	147.6	178.1	-68.1	-170.8	-69.5	169.6	-3.6	111.4	V102 G103 D105 L109	V102-R107 CarbonylContact C-O 3.52Å; V102-R107 WeakPolarHBondContact CA-O 3.39Å; V102-R107 WeakPolarHBondContact CB-O 3.28Å; G103-R107 PolarHBondContact N-O 3.42Å; D105-R107 PolarHBondContact O-N 2.82Å; D105-R107 WeakPolarHBondContact OD1-CB 3.48Å; D105-R107 PolarHBondContact OD1-N 3.23Å; D105-R107 IonicContact OD1-NE 2.8Å; D105-R107 IonicContact OD2-CZ 3.65Å; D105-R107 IonicContact OD2-NE 3.67Å; D105-R107 PolarHBondContact OD2-NE 3.3Å; D105-R107 IonicContact OD2-NH2 3.28Å; D105-R107 PolarHBondContact OD2-NH2 2.83Å; R107-L109 PolarHBondContact O-N 3.18Å
108	F	98.4	Very high	97.6	Very high	62 Å²	62	44.2 Å²	44.2	27%	0.272	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	131.4	175.9	-179.8	-102.5	0	0	0	111.2	C100 R110 G111 L129 L159 E160 V164	C100-F108 HydrophobicContact CB-CD2 4.42Å; C100-F108 HydrophobicContact CB-CE2 4.12Å; F108-R110 VanDerWaalsContact CE2-C 3.44Å; F108-R110 VanDerWaalsContact CE2-O 3.31Å; F108-R110 WeakPolarHBondContact CE2-O 3.48Å; F108-G111 VanDerWaalsContact CZ-N 3.32Å; F108-L129 HydrophobicContact CE1-CD1 4.09Å; F108-L129 HydrophobicContact CZ-CD1 3.76Å; F108-L159 WeakPolarHBondContact CE2-O 3.39Å; F108-E160 HydrophobicContact CD1-CG 4.17Å; F108-E160 HydrophobicContact CE1-CG 3.91Å; F108-E160 HydrophobicContact CE2-CG 4.42Å; F108-E160 HydrophobicContact CZ-CG 4.03Å; F108-V164 HydrophobicContact CB-CG2 4.02Å; F108-V164 HydrophobicContact CD2-CG2 3.62Å; F108-V164 HydrophobicContact CG-CG2 4.29Å
109	L	97.9	Very high	97.6	Very high	107 Å²	107	46.2 Å²	46.2	56%	0.56	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	-48.2	174.1	-66.9	-178.9	0	0	0	111.8	D101 R107	D101-L109 HydrophobicContact CB-CB 4.39Å; D101-L109 PolarHBondContact O-N 2.82Å; R107-L109 PolarHBondContact O-N 3.18Å
110	R	97.9	Very high	97.5	Very high	91 Å²	91	53.8 Å²	53.8	34%	0.343	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	148.1	-171.6	-171.6	162.1	169.2	145.1	6.3	111.7	C100 D101 F108 Y112 E127	C100-R110 CarbonylContact C-O 3.57Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 3.27Å; D101-R110 HydrophobicContact CB-CB 4.39Å; D101-R110 PolarHBondContact N-O 3.15Å; D101-R110 PolarHBondContact O-N 2.84Å; F108-R110 VanDerWaalsContact CE2-C 3.44Å; F108-R110 VanDerWaalsContact CE2-O 3.31Å; F108-R110 WeakPolarHBondContact CE2-O 3.48Å; R110-Y112 HydrophobicContact CB-CE2 4.11Å; R110-Y112 WeakPolarHBondContact CD-OH 3.5Å; R110-Y112 HydrophobicContact CG-CD2 4.49Å; R110-Y112 HydrophobicContact CG-CE1 4.21Å; R110-Y112 HydrophobicContact CG-CE2 3.76Å; R110-Y112 VanDerWaalsContact NE-CE1 3.34Å; R110-Y112 PolarHBondContact NE-OH 2.95Å; R110-E127 VanDerWaalsContact CZ-CD 3.48Å; R110-E127 IonicContact CZ-OE1 3.47Å; R110-E127 IonicContact NH1-OE1 3.2Å; R110-E127 PolarHBondContact NH1-OE1 2.88Å; R110-E127 IonicContact NH1-OE2 3.09Å; R110-E127 VanDerWaalsContact NH2-CD 3.34Å; R110-E127 VanDerWaalsContact NH2-CG 3.34Å; R110-E127 IonicContact NH2-OE1 2.81Å; R110-E127 PolarHBondContact NH2-OE1 3.13Å
111	G	98.3	Very high	97.5	Very high	5 Å²	5	60.1 Å²	60.1	5%	0.052	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	153.2	175.1	0	0	0	0	0	111	G99 F108	G99-G111 CarbonylContact O-C 3.52Å; G99-G111 WeakPolarHBondContact O-CA 3.43Å; F108-G111 VanDerWaalsContact CZ-N 3.32Å
112	Y	98.1	Very high	97.5	Very high	34 Å²	34	59.3 Å²	59.3	13%	0.133	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	139	-176.7	-55.5	-95.4	0	0	0	110.2	R5 M97 Y98 G99 D101 R110	R5-Y112 VanDerWaalsContact NH2-CZ 3.32Å; R5-Y112 PolarHBondContact NH2-OH 3.19Å; M97-Y112 HydrophobicContact CE-CD1 4.29Å; M97-Y112 HydrophobicContact CE-CG 4.37Å; M97-Y112 HydrophobicContact SD-CG 4.49Å; Y98-Y112 CarbonylContact C-O 3.55Å; Y98-Y112 WeakPolarHBondContact CA-O 3.42Å; Y98-Y112 VanDerWaalsContact CB-O 3.26Å; Y98-Y112 WeakPolarHBondContact CB-O 3.34Å; G99-Y112 PolarHBondContact N-O 3.02Å; G99-Y112 WeakPolarHBondContact O-CD2 3.38Å; G99-Y112 PolarHBondContact O-N 3.44Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.4Å; D101-Y112 PolarHBondContact OD2-OH 3.28Å; R110-Y112 HydrophobicContact CB-CE2 4.11Å; R110-Y112 WeakPolarHBondContact CD-OH 3.5Å; R110-Y112 HydrophobicContact CG-CD2 4.49Å; R110-Y112 HydrophobicContact CG-CE1 4.21Å; R110-Y112 HydrophobicContact CG-CE2 3.76Å; R110-Y112 VanDerWaalsContact NE-CE1 3.34Å; R110-Y112 PolarHBondContact NE-OH 2.95Å
113	R	98.4	Very high	97.6	Very high	10 Å²	10	59.4 Å²	59.4	4%	0.038	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	115	161.6	172.1	63.3	-169.4	-149.7	3	107.5	I96 M97 D115 L125 W132 W155	I96-R113 VanDerWaalsContact CG2-NH1 3.29Å; M97-R113 CarbonylContact O-C 3.6Å; M97-R113 WeakPolarHBondContact O-CA 3.45Å; R113-D115 IonicContact CZ-OD1 2.88Å; R113-D115 VanDerWaalsContact CZ-OD1 3.28Å; R113-D115 IonicContact CZ-OD2 3.63Å; R113-D115 IonicContact NE-OD1 3.39Å; R113-D115 PolarHBondContact NE-OD1 3.34Å; R113-D115 IonicContact NE-OD2 3.01Å; R113-D115 IonicContact NH2-OD1 3.72Å; R113-D115 PolarHBondContact NH2-OD1 3.23Å; R113-D115 IonicContact NH2-OD2 3.72Å; R113-D115 PolarHBondContact NH2-OD2 2.83Å; R113-L125 HydrophobicContact CB-CB 3.96Å; R113-L125 HydrophobicContact CB-CD2 4.28Å; R113-L125 PolarHBondContact O-N 2.72Å; R113-W132 HydrophobicContact CG-CH2 4Å; R113-W132 HydrophobicContact CG-CZ3 4.03Å; R113-W155 HydrophobicContact CB-CD2 4.4Å; R113-W155 HydrophobicContact CG-CD2 4.14Å; R113-W155 HydrophobicContact CG-CG 4.48Å; R113-W155 HydrophobicContact CG-CZ2 4.45Å
114	Q	98.4	Very high	97.6	Very high	75 Å²	75	60.3 Å²	60.3	35%	0.35	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	132.5	-175.4	-57.9	178.7	8.5	0	0	109.3	I96 M97 A124	I96-Q114 CarbonylContact C-O 3.56Å; I96-Q114 WeakPolarHBondContact CA-O 3.03Å; M97-Q114 HydrophobicContact CE-CB 4.38Å; M97-Q114 HydrophobicContact CE-CG 4.12Å; M97-Q114 PolarHBondContact N-O 3.32Å; M97-Q114 PolarHBondContact O-N 3.21Å; Q114-A124 HydrophobicContact CB-CB 4.44Å; Q114-A124 HydrophobicContact CG-CB 3.95Å
115	D	98.6	Very high	97.9	Very high	18 Å²	18	55.2 Å²	55.2	10%	0.096	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.4	-178	-57.9	20.4	0	0	0	107.8	Q95 I96 R113 Y122 I123	Q95-D115 CarbonylContact O-C 3.57Å; Q95-D115 VanDerWaalsContact O-CA 3.32Å; Q95-D115 WeakPolarHBondContact O-CA 3.24Å; I96-D115 HydrophobicContact CG1-CB 4.39Å; R113-D115 IonicContact CZ-OD1 2.88Å; R113-D115 VanDerWaalsContact CZ-OD1 3.28Å; R113-D115 IonicContact CZ-OD2 3.63Å; R113-D115 IonicContact NE-OD1 3.39Å; R113-D115 PolarHBondContact NE-OD1 3.34Å; R113-D115 IonicContact NE-OD2 3.01Å; R113-D115 IonicContact NH2-OD1 3.72Å; R113-D115 PolarHBondContact NH2-OD1 3.23Å; R113-D115 IonicContact NH2-OD2 3.72Å; R113-D115 PolarHBondContact NH2-OD2 2.83Å; D115-Y122 WeakPolarHBondContact O-CA 3.41Å; D115-Y122 VanDerWaalsContact O-CB 3.31Å; D115-Y122 WeakPolarHBondContact O-CB 3.36Å; D115-Y122 PolarHBondContact O-N 3.45Å; D115-I123 HydrophobicContact CB-CG2 4.03Å; D115-I123 PolarHBondContact N-O 2.69Å; D115-I123 PolarHBondContact O-N 2.88Å; D115-I123 VanDerWaalsContact O-N 3.11Å
116	A	98.8	Very high	98.1	Very high	17 Å²	17	55.4 Å²	55.4	14%	0.14	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148.8	179.7	0	0	0	0	0	110.4	I94 Q95 K120	I94-A116 WeakPolarHBondContact CA-O 3.43Å; Q95-A116 HydrophobicContact CB-CB 4.29Å; Q95-A116 PolarHBondContact N-O 3.01Å; Q95-A116 PolarHBondContact O-N 3.29Å; A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.46Å; A116-K120 VanDerWaalsContact CB-O 3.22Å; A116-K120 WeakPolarHBondContact CB-O 3.27Å
117	Y	98.7	Very high	98.3	Very high	10 Å²	10	61.2 Å²	61.2	4%	0.039	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.3	179.1	-174.1	-119.2	0	0	0	110.4	L77 L80 R81 Y84 Q86 H92 T93 I94 G119 K120	L77-Y117 HydrophobicContact CD2-CE2 4.38Å; L80-Y117 HydrophobicContact CB-CD1 4.41Å; L80-Y117 HydrophobicContact CB-CD2 4.14Å; L80-Y117 HydrophobicContact CB-CE1 4.06Å; L80-Y117 HydrophobicContact CB-CE2 3.77Å; L80-Y117 HydrophobicContact CB-CG 4.43Å; L80-Y117 HydrophobicContact CD1-CD2 3.45Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.45Å; L80-Y117 HydrophobicContact CD1-CE2 3.83Å; L80-Y117 HydrophobicContact CD1-CG 3.88Å; L80-Y117 HydrophobicContact CG-CD2 4.41Å; L80-Y117 HydrophobicContact CG-CE2 4.47Å; R81-Y117 PolarHBondContact N-OH 2.86Å; Y84-Y117 AromaticContact CD2-CD1 3.71Å; Y84-Y117 HydrophobicContact CD2-CD1 3.71Å; Y84-Y117 AromaticContact CD2-CE1 3.5Å; Y84-Y117 HydrophobicContact CD2-CE1 3.5Å; Y84-Y117 AromaticContact CE2-CD1 3.52Å; Y84-Y117 HydrophobicContact CE2-CD1 3.52Å; Y84-Y117 AromaticContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CE2-CG 4.48Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Q86-Y117 PolarHBondContact OE1-OH 2.86Å; H92-Y117 HydrophobicContact CB-CE2 3.87Å; H92-Y117 WeakPolarHBondContact CB-OH 3.45Å; H92-Y117 VanDerWaalsContact CG-OH 3.24Å; H92-Y117 AromaticContact ND1-CZ 3.93Å; H92-Y117 PolarHBondContact ND1-OH 3.32Å; T93-Y117 CarbonylContact O-C 3.59Å; T93-Y117 WeakPolarHBondContact O-CA 3.32Å; T93-Y117 VanDerWaalsContact O-CD2 3.27Å; T93-Y117 WeakPolarHBondContact O-CD2 3.31Å; I94-Y117 HydrophobicContact CG1-CD2 3.88Å; I94-Y117 HydrophobicContact CG1-CE2 4.29Å; Y117-G119 PolarHBondContact O-N 2.62Å; Y117-K120 PolarHBondContact N-O 3.47Å; Y117-K120 PolarHBondContact O-N 3.05Å
118	D	98.1	Very high	98.3	Very high	60 Å²	60	57 Å²	57	32%	0.321	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	39.8	-175.7	-67.5	-20.1	0	0	0	113.4	Q86 H92 T93 K120	Q86-D118 PolarHBondContact NE2-OD2 2.81Å; H92-D118 WeakPolarHBondContact CA-OD1 3.28Å; H92-D118 IonicContact CE1-OD2 3.78Å; H92-D118 IonicContact CG-OD1 2.7Å; H92-D118 IonicContact CG-OD2 3.71Å; H92-D118 IonicContact ND1-OD1 3.48Å; H92-D118 IonicContact ND1-OD2 3.67Å; H92-D118 PolarHBondContact ND1-OD2 2.85Å; T93-D118 PolarHBondContact N-OD1 2.92Å; T93-D118 PolarHBondContact O-N 3.13Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 3.3Å
119	G	97.4	Very high	98.3	Very high	59 Å²	59	54.4 Å²	54.4	61%	0.608	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	9.3	178.5	0	0	0	0	0	115.2	Y117	Y117-G119 PolarHBondContact O-N 2.62Å
120	K	98.4	Very high	98.2	Very high	160 Å²	160	57.4 Å²	57.4	70%	0.696	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	145.1	176.5	-62	178.4	-177	176	0	110.6	A116 Y117 D118 Y122	A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.46Å; A116-K120 VanDerWaalsContact CB-O 3.22Å; A116-K120 WeakPolarHBondContact CB-O 3.27Å; Y117-K120 PolarHBondContact N-O 3.47Å; Y117-K120 PolarHBondContact O-N 3.05Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 3.3Å; K120-Y122 PolarHBondContact O-N 3.31Å
121	D	98.6	Very high	98.2	Very high	132 Å²	132	54.2 Å²	54.2	71%	0.706	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.7	135.2	173.6	-66.9	-20.2	0	0	0	110.6	A135	D121-A135 HydrophobicContact CB-CB 4.27Å; D121-A135 WeakPolarHBondContact O-CB 3.22Å
122	Y	98.8	Very high	98.2	Very high	12 Å²	12	54 Å²	54	5%	0.047	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-63.7	178.6	-179.9	-109	0	0	0	110.6	L80 Y84 D115 K120 A135 A138 A139 T142	L80-Y122 HydrophobicContact CD2-CD2 4.33Å; L80-Y122 HydrophobicContact CD2-CE1 3.82Å; L80-Y122 HydrophobicContact CD2-CE2 3.57Å; L80-Y122 VanDerWaalsContact CD2-OH 3.29Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.46Å; Y84-Y122 HydrophobicContact CE2-CD2 4.37Å; Y84-Y122 HydrophobicContact CE2-CE2 4.08Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.44Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.35Å; D115-Y122 WeakPolarHBondContact O-CA 3.41Å; D115-Y122 VanDerWaalsContact O-CB 3.31Å; D115-Y122 WeakPolarHBondContact O-CB 3.36Å; D115-Y122 PolarHBondContact O-N 3.45Å; K120-Y122 PolarHBondContact O-N 3.31Å; Y122-A135 WeakPolarHBondContact O-CB 3.48Å; Y122-A135 PolarHBondContact O-N 2.79Å; Y122-A138 HydrophobicContact CE2-CB 4.46Å; Y122-A138 PolarHBondContact OH-O 2.88Å; Y122-A139 HydrophobicContact CD2-CB 3.78Å; Y122-A139 HydrophobicContact CE1-CB 4.48Å; Y122-A139 HydrophobicContact CE2-CB 3.64Å; Y122-A139 HydrophobicContact CG-CB 4.26Å; Y122-A139 WeakPolarHBondContact O-CB 3.18Å; Y122-T142 HydrophobicContact CE1-CG2 4.15Å; Y122-T142 WeakPolarHBondContact OH-CB 3.4Å; Y122-T142 PolarHBondContact OH-OG1 3.22Å
123	I	98.8	Very high	98.2	Very high	3 Å²	3	56 Å²	56	2%	0.015	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	141.5	178.4	-162.9	173.7	0	0	0	111.1	D115 W132 T133 T142 K143 W146	D115-I123 HydrophobicContact CB-CG2 4.03Å; D115-I123 PolarHBondContact N-O 2.69Å; D115-I123 PolarHBondContact O-N 2.88Å; D115-I123 VanDerWaalsContact O-N 3.11Å; I123-W132 HydrophobicContact CD1-CB 4.12Å; I123-W132 HydrophobicContact CD1-CD2 4.36Å; I123-W132 HydrophobicContact CD1-CE3 4.21Å; I123-W132 HydrophobicContact CD1-CG 4.35Å; I123-W132 HydrophobicContact CG1-CB 4.21Å; I123-W132 HydrophobicContact CG1-CE3 4.05Å; I123-T133 CarbonylContact C-O 3.59Å; I123-T133 WeakPolarHBondContact CA-O 3.36Å; I123-T133 WeakPolarHBondContact CG1-O 3.41Å; I123-T142 HydrophobicContact CD1-CG2 4.07Å; I123-K143 HydrophobicContact CD1-CB 3.87Å; I123-W146 HydrophobicContact CD1-CE3 4.05Å; I123-W146 HydrophobicContact CD1-CZ3 4.36Å; I123-W146 HydrophobicContact CG2-CH2 4.14Å; I123-W146 HydrophobicContact CG2-CZ3 3.86Å
124	A	98.8	Very high	98.2	Very high	28 Å²	28	56.2 Å²	56.2	23%	0.231	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	136.6	-179.1	0	0	0	0	0	111.9	Q114 W132 T133	Q114-A124 HydrophobicContact CB-CB 4.44Å; Q114-A124 HydrophobicContact CG-CB 3.95Å; A124-W132 CarbonylContact O-C 3.54Å; A124-W132 WeakPolarHBondContact O-CA 3.15Å; A124-T133 PolarHBondContact N-O 2.92Å; A124-T133 PolarHBondContact O-N 3.2Å
125	L	98.8	Very high	98.2	Very high	12 Å²	12	55.5 Å²	55.5	6%	0.063	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	128.9	169.3	-173.5	64.2	0	0	0	108.6	R113 L129 W132 A152 W155 L159	R113-L125 HydrophobicContact CB-CB 3.96Å; R113-L125 HydrophobicContact CB-CD2 4.28Å; R113-L125 PolarHBondContact O-N 2.72Å; L125-L129 HydrophobicContact CD2-CB 4.44Å; L125-L129 HydrophobicContact CD2-CD2 3.7Å; L125-L129 HydrophobicContact CG-CD2 4.21Å; L125-W132 HydrophobicContact CB-CE3 3.95Å; L125-W132 HydrophobicContact CB-CH2 4.02Å; L125-W132 HydrophobicContact CB-CZ3 3.6Å; L125-W132 HydrophobicContact CD1-CD2 4.11Å; L125-W132 HydrophobicContact CD1-CE3 4.26Å; L125-W132 HydrophobicContact CD1-CH2 4.04Å; L125-W132 HydrophobicContact CD1-CZ2 3.88Å; L125-W132 HydrophobicContact CD1-CZ3 4.22Å; L125-W132 HydrophobicContact CG-CH2 4.47Å; L125-W132 HydrophobicContact CG-CZ3 4.46Å; L125-A152 HydrophobicContact CD1-CB 4Å; L125-W155 HydrophobicContact CD2-CB 4.03Å; L125-L159 HydrophobicContact CD2-CD1 3.96Å
126	K	98.4	Very high	98.2	Very high	88 Å²	88	57.5 Å²	57.5	38%	0.383	31%	0.312	S	S	.	.			trans	-72.6	165.7	178.3	-64	-164.2	-154.6	159.5	0	111.5	D128 L129 S131 T133	K126-D128 PolarHBondContact O-N 2.91Å; K126-D128 VanDerWaalsContact O-N 3.11Å; K126-L129 PolarHBondContact O-N 2.89Å; K126-S131 WeakPolarHBondContact CB-O 3.41Å; K126-S131 VanDerWaalsContact CD-OG 3.22Å; K126-S131 WeakPolarHBondContact CD-OG 3.35Å; K126-S131 WeakPolarHBondContact CE-OG 3.43Å; K126-S131 WeakPolarHBondContact CG-O 3.4Å; K126-S131 PolarHBondContact N-O 3.31Å; K126-S131 PolarHBondContact NZ-OG 2.97Å; K126-T133 VanDerWaalsContact CE-OG1 3.22Å; K126-T133 WeakPolarHBondContact CE-OG1 3.5Å; K126-T133 WeakPolarHBondContact CG-OG1 3.22Å
127	E	97.3	Very high	98.1	Very high	137 Å²	137	64 Å²	64	64%	0.64	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.3	177.8	-62.7	-176.7	-175.4	0	0	113.5	R110 L129	R110-E127 VanDerWaalsContact CZ-CD 3.48Å; R110-E127 IonicContact CZ-OE1 3.47Å; R110-E127 IonicContact NH1-OE1 3.2Å; R110-E127 PolarHBondContact NH1-OE1 2.88Å; R110-E127 IonicContact NH1-OE2 3.09Å; R110-E127 VanDerWaalsContact NH2-CD 3.34Å; R110-E127 VanDerWaalsContact NH2-CG 3.34Å; R110-E127 IonicContact NH2-OE1 2.81Å; R110-E127 PolarHBondContact NH2-OE1 3.13Å; E127-L129 PolarHBondContact O-N 3.13Å
128	D	97.2	Very high	98	Very high	78 Å²	78	64.1 Å²	64.1	42%	0.417	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-10.9	174.7	67.4	12.7	0	0	0	114	K126 R130 S131	K126-D128 PolarHBondContact O-N 2.91Å; K126-D128 VanDerWaalsContact O-N 3.11Å; D128-R130 WeakPolarHBondContact O-CG 3.4Å; D128-R130 PolarHBondContact O-N 3.11Å; D128-R130 VanDerWaalsContact O-N 3.16Å; D128-R130 PolarHBondContact OD1-N 3.49Å; D128-S131 PolarHBondContact OD1-N 3.12Å; D128-S131 PolarHBondContact OD1-OG 3.05Å; D128-S131 PolarHBondContact OD2-OG 2.95Å
129	L	98	Very high	98	Very high	6 Å²	6	61.3 Å²	61.3	3%	0.031	33%	0.329	C	S	.	.	S	Bend	trans	53.1	26.3	-174.6	-52.4	178.9	0	0	0	114.1	F108 L125 K126 E127 R156 L159 E160	F108-L129 HydrophobicContact CE1-CD1 4.09Å; F108-L129 HydrophobicContact CZ-CD1 3.76Å; L125-L129 HydrophobicContact CD2-CB 4.44Å; L125-L129 HydrophobicContact CD2-CD2 3.7Å; L125-L129 HydrophobicContact CG-CD2 4.21Å; K126-L129 PolarHBondContact O-N 2.89Å; E127-L129 PolarHBondContact O-N 3.13Å; L129-R156 HydrophobicContact CB-CB 4.08Å; L129-R156 HydrophobicContact CB-CG 3.9Å; L129-R156 HydrophobicContact CD1-CG 4.16Å; L129-L159 HydrophobicContact CD2-CD1 4.09Å; L129-E160 HydrophobicContact CD1-CG 4.01Å
130	R	97.3	Very high	98	Very high	170 Å²	170	61.2 Å²	61.2	64%	0.642	31%	0.313	S	S	*	.	S	Bend	trans	-129.9	-29.8	-176.1	-70.1	174.9	-170.1	-153.7	3.9	112.6	D128 A152	D128-R130 WeakPolarHBondContact O-CG 3.4Å; D128-R130 PolarHBondContact O-N 3.11Å; D128-R130 VanDerWaalsContact O-N 3.16Å; D128-R130 PolarHBondContact OD1-N 3.49Å; R130-A152 WeakPolarHBondContact O-CB 3.27Å
131	S	97.2	Very high	98	Very high	25 Å²	25	56.4 Å²	56.4	18%	0.175	30%	0.297	C	S	.	.			trans	-122.5	158.3	-176.3	70.7	0	0	0	0	112.4	K126 D128	K126-S131 WeakPolarHBondContact CB-O 3.41Å; K126-S131 VanDerWaalsContact CD-OG 3.22Å; K126-S131 WeakPolarHBondContact CD-OG 3.35Å; K126-S131 WeakPolarHBondContact CE-OG 3.43Å; K126-S131 WeakPolarHBondContact CG-O 3.4Å; K126-S131 PolarHBondContact N-O 3.31Å; K126-S131 PolarHBondContact NZ-OG 2.97Å; D128-S131 PolarHBondContact OD1-N 3.12Å; D128-S131 PolarHBondContact OD1-OG 3.05Å; D128-S131 PolarHBondContact OD2-OG 2.95Å
132	W	98.6	Very high	97.9	Very high	1 Å²	1	51 Å²	51	0%	0.004	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	144.5	-177.7	-59.9	92.1	0	0	0	111.7	R113 I123 A124 L125 K143 W146 V151 A152 W155	R113-W132 HydrophobicContact CG-CH2 4Å; R113-W132 HydrophobicContact CG-CZ3 4.03Å; I123-W132 HydrophobicContact CD1-CB 4.12Å; I123-W132 HydrophobicContact CD1-CD2 4.36Å; I123-W132 HydrophobicContact CD1-CE3 4.21Å; I123-W132 HydrophobicContact CD1-CG 4.35Å; I123-W132 HydrophobicContact CG1-CB 4.21Å; I123-W132 HydrophobicContact CG1-CE3 4.05Å; A124-W132 CarbonylContact O-C 3.54Å; A124-W132 WeakPolarHBondContact O-CA 3.15Å; L125-W132 HydrophobicContact CB-CE3 3.95Å; L125-W132 HydrophobicContact CB-CH2 4.02Å; L125-W132 HydrophobicContact CB-CZ3 3.6Å; L125-W132 HydrophobicContact CD1-CD2 4.11Å; L125-W132 HydrophobicContact CD1-CE3 4.26Å; L125-W132 HydrophobicContact CD1-CH2 4.04Å; L125-W132 HydrophobicContact CD1-CZ2 3.88Å; L125-W132 HydrophobicContact CD1-CZ3 4.22Å; L125-W132 HydrophobicContact CG-CH2 4.47Å; L125-W132 HydrophobicContact CG-CZ3 4.46Å; W132-K143 HydrophobicContact CB-CD 4.31Å; W132-K143 HydrophobicContact CB-CG 4.09Å; W132-K143 WeakPolarHBondContact O-CE 3.47Å; W132-W146 AromaticContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CZ3 4.38Å; W132-W146 AromaticContact CE2-CE3 3.7Å; W132-W146 AromaticContact CE3-CE3 3.81Å; W132-W146 HydrophobicContact CE3-CE3 3.81Å; W132-W146 AromaticContact CE3-CZ3 3.84Å; W132-W146 HydrophobicContact CE3-CZ3 3.84Å; W132-W146 AromaticContact CH2-CE3 3.46Å; W132-W146 HydrophobicContact CH2-CE3 3.46Å; W132-W146 VanDerWaalsContact CH2-CE3 3.46Å; W132-W146 AromaticContact CH2-CZ3 3.37Å; W132-W146 HydrophobicContact CH2-CZ3 3.37Å; W132-W146 HydrophobicContact CZ2-CD2 4.5Å; W132-W146 AromaticContact CZ2-CE3 3.51Å; W132-W146 HydrophobicContact CZ2-CE3 3.51Å; W132-W146 AromaticContact CZ2-CZ3 3.95Å; W132-W146 HydrophobicContact CZ2-CZ3 3.95Å; W132-W146 AromaticContact CZ3-CE3 3.62Å; W132-W146 HydrophobicContact CZ3-CE3 3.62Å; W132-W146 AromaticContact CZ3-CZ3 3.31Å; W132-W146 HydrophobicContact CZ3-CZ3 3.31Å; W132-V151 HydrophobicContact CZ2-CB 4.38Å; W132-V151 HydrophobicContact CZ2-CG1 4.01Å; W132-A152 HydrophobicContact CZ2-CB 4.32Å; W132-W155 AromaticContact CH2-CD1 3.85Å
133	T	98.6	Very high	97.9	Very high	74 Å²	74	52.4 Å²	52.4	45%	0.454	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.1	166.4	-60.5	0	0	0	0	108.2	I123 A124 K126	I123-T133 CarbonylContact C-O 3.59Å; I123-T133 WeakPolarHBondContact CA-O 3.36Å; I123-T133 WeakPolarHBondContact CG1-O 3.41Å; A124-T133 PolarHBondContact N-O 2.92Å; A124-T133 PolarHBondContact O-N 3.2Å; K126-T133 VanDerWaalsContact CE-OG1 3.22Å; K126-T133 WeakPolarHBondContact CE-OG1 3.5Å; K126-T133 WeakPolarHBondContact CG-OG1 3.22Å
134	A	98.6	Very high	97.9	Very high	16 Å²	16	57.9 Å²	57.9	13%	0.132	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.5	174.8	0	0	0	0	0	109.3	A139 Q140 K143	A134-A139 HydrophobicContact CB-CB 3.7Å; A134-Q140 HydrophobicContact CB-CG 4.34Å; A134-K143 HydrophobicContact CB-CB 4.27Å; A134-K143 HydrophobicContact CB-CD 4.17Å
135	A	98.3	Very high	97.9	Very high	59 Å²	59	62.3 Å²	62.3	49%	0.488	32%	0.315	S	S	.	.	S	Bend	trans	-77.4	-31.9	-174.8	0	0	0	0	0	113.4	D121 Y122	D121-A135 HydrophobicContact CB-CB 4.27Å; D121-A135 WeakPolarHBondContact O-CB 3.22Å; Y122-A135 WeakPolarHBondContact O-CB 3.48Å; Y122-A135 PolarHBondContact O-N 2.79Å
136	D	97.9	Very high	97.8	Very high	60 Å²	60	64.3 Å²	64.3	32%	0.321	32%	0.321	S	S	.	.	S	Bend	trans	-149.5	-174.4	-178.7	67.1	29.6	0	0	0	112.7	Y84 A138 A139 Q140	Y84-D136 VanDerWaalsContact CE1-OD2 3.23Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.41Å; Y84-D136 VanDerWaalsContact OH-CG 3.24Å; Y84-D136 PolarHBondContact OH-OD1 3.19Å; Y84-D136 VanDerWaalsContact OH-OD1 3.13Å; Y84-D136 PolarHBondContact OH-OD2 3.48Å; D136-A138 VanDerWaalsContact C-N 3.35Å; D136-A138 PolarHBondContact O-N 3.28Å; D136-A138 WeakPolarHBondContact OD1-CA 3.43Å; D136-A138 WeakPolarHBondContact OD1-CB 3.41Å; D136-A138 PolarHBondContact OD1-N 3.32Å; D136-A139 PolarHBondContact O-N 3.17Å; D136-A139 PolarHBondContact OD1-N 2.88Å; D136-Q140 WeakPolarHBondContact O-CG 3.23Å; D136-Q140 PolarHBondContact O-N 2.92Å
137	M	96.6	Very high	97.8	Very high	155 Å²	155	63.8 Å²	63.8	76%	0.764	32%	0.32	S	S	*	.	H	α-helix	trans	-65.8	-31.4	-178.7	-67.5	-55.3	-58.6	0	0	114.1	Q140	M137-Q140 PolarHBondContact O-N 2.93Å
138	A	96.4	Very high	97.9	Very high	12 Å²	12	61.2 Å²	61.2	10%	0.099	32%	0.322	C	S	.	.	H	α-helix	trans	-69	-44.6	175.1	0	0	0	0	0	109.6	Y84 Y122 D136 Q140 T141	Y84-A138 HydrophobicContact CD1-CB 4.18Å; Y84-A138 HydrophobicContact CD2-CB 4.43Å; Y84-A138 HydrophobicContact CE1-CB 3.62Å; Y84-A138 HydrophobicContact CE2-CB 3.89Å; Y84-A138 VanDerWaalsContact CZ-CB 3.46Å; Y122-A138 HydrophobicContact CE2-CB 4.46Å; Y122-A138 PolarHBondContact OH-O 2.88Å; D136-A138 VanDerWaalsContact C-N 3.35Å; D136-A138 PolarHBondContact O-N 3.28Å; D136-A138 WeakPolarHBondContact OD1-CA 3.43Å; D136-A138 WeakPolarHBondContact OD1-CB 3.41Å; D136-A138 PolarHBondContact OD1-N 3.32Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 2.77Å; A138-T141 VanDerWaalsContact O-CB 3.23Å; A138-T141 WeakPolarHBondContact O-CB 3.46Å; A138-T141 PolarHBondContact O-N 2.84Å
139	A	98.1	Very high	97.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-61.3	-30.9	175.5	0	0	0	0	0	113.7	Y122 A134 D136 T141 T142 K143	Y122-A139 HydrophobicContact CD2-CB 3.78Å; Y122-A139 HydrophobicContact CE1-CB 4.48Å; Y122-A139 HydrophobicContact CE2-CB 3.64Å; Y122-A139 HydrophobicContact CG-CB 4.26Å; Y122-A139 WeakPolarHBondContact O-CB 3.18Å; A134-A139 HydrophobicContact CB-CB 3.7Å; D136-A139 PolarHBondContact O-N 3.17Å; D136-A139 PolarHBondContact OD1-N 2.88Å; A139-T141 PolarHBondContact O-N 2.86Å; A139-T142 PolarHBondContact O-N 2.87Å; A139-T142 VanDerWaalsContact O-N 3.17Å; A139-K143 PolarHBondContact O-N 2.86Å
140	Q	98.3	Very high	97.9	Very high	58 Å²	58	65.1 Å²	65.1	27%	0.271	35%	0.348	S	S	.	.	H	α-helix	trans	-58.5	-33.7	172.4	-66.8	-63.8	-19.6	0	0	112.1	A134 D136 M137 A138 K143 H144	A134-Q140 HydrophobicContact CB-CG 4.34Å; D136-Q140 WeakPolarHBondContact O-CG 3.23Å; D136-Q140 PolarHBondContact O-N 2.92Å; M137-Q140 PolarHBondContact O-N 2.93Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 2.77Å; Q140-K143 PolarHBondContact O-N 3.46Å; Q140-H144 PolarHBondContact O-N 2.85Å
141	T	97.2	Very high	97.9	Very high	59 Å²	59	58 Å²	58	36%	0.362	32%	0.323	S	S	.	.	H	α-helix	trans	-64.7	-44.6	176.9	-56.5	0	0	0	0	111.1	Y83 A138 A139 K145	Y83-T141 HydrophobicContact CE1-CG2 4.25Å; Y83-T141 HydrophobicContact CE2-CG2 4.09Å; A138-T141 VanDerWaalsContact O-CB 3.23Å; A138-T141 WeakPolarHBondContact O-CB 3.46Å; A138-T141 PolarHBondContact O-N 2.84Å; A139-T141 PolarHBondContact O-N 2.86Å; T141-K145 WeakPolarHBondContact O-CG 3.32Å; T141-K145 PolarHBondContact O-N 3.2Å
142	T	97.9	Very high	98	Very high	18 Å²	18	57.2 Å²	57.2	11%	0.11	32%	0.318	C	S	.	.	H	α-helix	trans	-64.7	-43.8	173.9	-69.2	0	0	0	0	111.2	Y122 I123 A139 H144 K145 W146	Y122-T142 HydrophobicContact CE1-CG2 4.15Å; Y122-T142 WeakPolarHBondContact OH-CB 3.4Å; Y122-T142 PolarHBondContact OH-OG1 3.22Å; I123-T142 HydrophobicContact CD1-CG2 4.07Å; A139-T142 PolarHBondContact O-N 2.87Å; A139-T142 VanDerWaalsContact O-N 3.17Å; T142-H144 PolarHBondContact O-N 3.21Å; T142-K145 WeakPolarHBondContact O-CB 3.3Å; T142-K145 PolarHBondContact O-N 2.72Å; T142-K145 VanDerWaalsContact O-N 3.17Å; T142-W146 HydrophobicContact CG2-CD2 3.87Å; T142-W146 HydrophobicContact CG2-CE3 4.43Å; T142-W146 HydrophobicContact CG2-CG 4.13Å; T142-W146 HydrophobicContact CG2-CZ2 4.08Å; T142-W146 WeakPolarHBondContact O-CB 3.5Å; T142-W146 PolarHBondContact O-N 2.73Å
143	K	98.6	Very high	98	Very high	42 Å²	42	63 Å²	63	18%	0.183	35%	0.345	C	S	.	.	H	α-helix	trans	-53.9	-52	177.6	174.4	176	171.5	-169	0	112	I123 W132 A134 A139 Q140 K145 W146 E147	I123-K143 HydrophobicContact CD1-CB 3.87Å; W132-K143 HydrophobicContact CB-CD 4.31Å; W132-K143 HydrophobicContact CB-CG 4.09Å; W132-K143 WeakPolarHBondContact O-CE 3.47Å; A134-K143 HydrophobicContact CB-CB 4.27Å; A134-K143 HydrophobicContact CB-CD 4.17Å; A139-K143 PolarHBondContact O-N 2.86Å; Q140-K143 PolarHBondContact O-N 3.46Å; K143-K145 VanDerWaalsContact C-N 3.31Å; K143-K145 PolarHBondContact O-N 3.47Å; K143-W146 PolarHBondContact O-N 2.98Å; K143-E147 WeakPolarHBondContact CE-OE1 3.38Å; K143-E147 HydrophobicContact CG-CG 4.31Å; K143-E147 IonicContact NZ-OE1 3.94Å; K143-E147 WeakPolarHBondContact O-CB 3.42Å; K143-E147 WeakPolarHBondContact O-CG 3.3Å; K143-E147 PolarHBondContact O-N 3.35Å
144	H	98.4	Very high	97.9	Very high	117 Å²	117	65.9 Å²	65.9	54%	0.542	35%	0.353	S	S	.	.	H	α-helix	trans	-60.7	-39.5	179.6	-67.5	169.8	0	0	0	112.5	Q140 T142 A148	Q140-H144 PolarHBondContact O-N 2.85Å; T142-H144 PolarHBondContact O-N 3.21Å; H144-A148 WeakPolarHBondContact O-CB 3.29Å; H144-A148 PolarHBondContact O-N 2.88Å
145	K	97.8	Very high	97.9	Very high	122 Å²	122	67.3 Å²	67.3	53%	0.53	36%	0.355	S	S	.	.	H	α-helix	trans	-63.5	-44.2	175.7	-72.4	177.3	175.6	-176.5	0	111.7	Y83 T141 T142 K143 A149	Y83-K145 PolarHBondContact OH-NZ 3.35Å; T141-K145 WeakPolarHBondContact O-CG 3.32Å; T141-K145 PolarHBondContact O-N 3.2Å; T142-K145 WeakPolarHBondContact O-CB 3.3Å; T142-K145 PolarHBondContact O-N 2.72Å; T142-K145 VanDerWaalsContact O-N 3.17Å; K143-K145 VanDerWaalsContact C-N 3.31Å; K143-K145 PolarHBondContact O-N 3.47Å; K145-A149 WeakPolarHBondContact O-CB 3.11Å; K145-A149 PolarHBondContact O-N 2.98Å
146	W	98.2	Very high	97.9	Very high	53 Å²	53	68.3 Å²	68.3	20%	0.201	35%	0.347	C	S	.	.	H	α-helix	trans	-70.6	-36	-179.2	-77.8	13.7	0	0	0	112.9	I123 W132 T142 K143 A149 H150 V151	I123-W146 HydrophobicContact CD1-CE3 4.05Å; I123-W146 HydrophobicContact CD1-CZ3 4.36Å; I123-W146 HydrophobicContact CG2-CH2 4.14Å; I123-W146 HydrophobicContact CG2-CZ3 3.86Å; W132-W146 AromaticContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CZ3 4.38Å; W132-W146 AromaticContact CE2-CE3 3.7Å; W132-W146 AromaticContact CE3-CE3 3.81Å; W132-W146 HydrophobicContact CE3-CE3 3.81Å; W132-W146 AromaticContact CE3-CZ3 3.84Å; W132-W146 HydrophobicContact CE3-CZ3 3.84Å; W132-W146 AromaticContact CH2-CE3 3.46Å; W132-W146 HydrophobicContact CH2-CE3 3.46Å; W132-W146 VanDerWaalsContact CH2-CE3 3.46Å; W132-W146 AromaticContact CH2-CZ3 3.37Å; W132-W146 HydrophobicContact CH2-CZ3 3.37Å; W132-W146 HydrophobicContact CZ2-CD2 4.5Å; W132-W146 AromaticContact CZ2-CE3 3.51Å; W132-W146 HydrophobicContact CZ2-CE3 3.51Å; W132-W146 AromaticContact CZ2-CZ3 3.95Å; W132-W146 HydrophobicContact CZ2-CZ3 3.95Å; W132-W146 AromaticContact CZ3-CE3 3.62Å; W132-W146 HydrophobicContact CZ3-CE3 3.62Å; W132-W146 AromaticContact CZ3-CZ3 3.31Å; W132-W146 HydrophobicContact CZ3-CZ3 3.31Å; T142-W146 HydrophobicContact CG2-CD2 3.87Å; T142-W146 HydrophobicContact CG2-CE3 4.43Å; T142-W146 HydrophobicContact CG2-CG 4.13Å; T142-W146 HydrophobicContact CG2-CZ2 4.08Å; T142-W146 WeakPolarHBondContact O-CB 3.5Å; T142-W146 PolarHBondContact O-N 2.73Å; K143-W146 PolarHBondContact O-N 2.98Å; W146-A149 CarbonylContact O-C 3.54Å; W146-A149 PolarHBondContact O-N 3.35Å; W146-H150 PolarHBondContact O-N 2.88Å; W146-H150 VanDerWaalsContact O-N 3.08Å; W146-V151 HydrophobicContact CB-CB 3.96Å; W146-V151 HydrophobicContact CB-CG2 3.97Å; W146-V151 HydrophobicContact CD2-CB 4.45Å; W146-V151 HydrophobicContact CD2-CG1 4.11Å; W146-V151 HydrophobicContact CE3-CG1 4.3Å; W146-V151 HydrophobicContact CG-CB 4.1Å; W146-V151 HydrophobicContact CG-CG1 4.26Å; W146-V151 HydrophobicContact CG-CG2 3.95Å; W146-V151 PolarHBondContact O-N 3.28Å
147	E	98.3	Very high	97.9	Very high	78 Å²	78	68.7 Å²	68.7	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-65.8	-46.9	173.1	-73.5	174.9	161.1	0	0	111.1	K143 A149 H150	K143-E147 WeakPolarHBondContact CE-OE1 3.38Å; K143-E147 HydrophobicContact CG-CG 4.31Å; K143-E147 IonicContact NZ-OE1 3.94Å; K143-E147 WeakPolarHBondContact O-CB 3.42Å; K143-E147 WeakPolarHBondContact O-CG 3.3Å; K143-E147 PolarHBondContact O-N 3.35Å; E147-A149 PolarHBondContact O-N 2.82Å; E147-H150 PolarHBondContact O-N 3.11Å; E147-H150 VanDerWaalsContact O-N 3.1Å
148	A	98.2	Very high	98	Very high	82 Å²	82	64 Å²	64	68%	0.678	33%	0.332	S	S	*	.	H	α-helix	trans	-62.3	-29.7	176.3	0	0	0	0	0	113.2	H144	H144-A148 WeakPolarHBondContact O-CB 3.29Å; H144-A148 PolarHBondContact O-N 2.88Å
149	A	98	Very high	98.1	Very high	58 Å²	58	63.5 Å²	63.5	48%	0.479	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	6.8	177.7	0	0	0	0	0	113.9	K145 W146 E147 V151	K145-A149 WeakPolarHBondContact O-CB 3.11Å; K145-A149 PolarHBondContact O-N 2.98Å; W146-A149 CarbonylContact O-C 3.54Å; W146-A149 PolarHBondContact O-N 3.35Å; E147-A149 PolarHBondContact O-N 2.82Å; A149-V151 HydrophobicContact CB-CG2 3.94Å; A149-V151 PolarHBondContact O-N 3.46Å; A149-V151 VanDerWaalsContact O-N 3.17Å
150	H	97.4	Very high	98.2	Very high	108 Å²	108	67.2 Å²	67.2	50%	0.5	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	34.6	179.6	-62.6	-92.7	0	0	0	114.1	W146 E147 A152 E153	W146-H150 PolarHBondContact O-N 2.88Å; W146-H150 VanDerWaalsContact O-N 3.08Å; E147-H150 PolarHBondContact O-N 3.11Å; E147-H150 VanDerWaalsContact O-N 3.1Å; H150-A152 PolarHBondContact O-N 2.93Å; H150-E153 HydrophobicContact CB-CG 4.45Å; H150-E153 IonicContact CE1-OE1 3.21Å; H150-E153 IonicContact CG-OE1 2.78Å; H150-E153 IonicContact ND1-OE1 3.53Å; H150-E153 PolarHBondContact ND1-OE1 3.43Å; H150-E153 PolarHBondContact O-N 2.99Å; H150-E153 VanDerWaalsContact O-N 3.08Å
151	V	98.3	Very high	98.2	Very high	21 Å²	21	65.6 Å²	65.6	13%	0.127	34%	0.344	C	S	.	.	H	α-helix	trans	-62.4	-30.2	-174.7	176.6	0	0	0	0	111.9	W132 W146 A149 E153 Q154 W155	W132-V151 HydrophobicContact CZ2-CB 4.38Å; W132-V151 HydrophobicContact CZ2-CG1 4.01Å; W146-V151 HydrophobicContact CB-CB 3.96Å; W146-V151 HydrophobicContact CB-CG2 3.97Å; W146-V151 HydrophobicContact CD2-CB 4.45Å; W146-V151 HydrophobicContact CD2-CG1 4.11Å; W146-V151 HydrophobicContact CE3-CG1 4.3Å; W146-V151 HydrophobicContact CG-CB 4.1Å; W146-V151 HydrophobicContact CG-CG1 4.26Å; W146-V151 HydrophobicContact CG-CG2 3.95Å; W146-V151 PolarHBondContact O-N 3.28Å; A149-V151 HydrophobicContact CB-CG2 3.94Å; A149-V151 PolarHBondContact O-N 3.46Å; A149-V151 VanDerWaalsContact O-N 3.17Å; V151-E153 VanDerWaalsContact C-N 3.31Å; V151-E153 PolarHBondContact O-N 2.83Å; V151-Q154 PolarHBondContact O-N 2.99Å; V151-W155 VanDerWaalsContact O-CD1 3.3Å; V151-W155 PolarHBondContact O-N 2.8Å
152	A	98.4	Very high	98.2	Very high	8 Å²	8	65.4 Å²	65.4	7%	0.066	34%	0.343	C	S	.	.	H	α-helix	trans	-61.5	-36.7	176.4	0	0	0	0	0	112.7	L125 R130 W132 H150 Q154 W155 R156	L125-A152 HydrophobicContact CD1-CB 4Å; R130-A152 WeakPolarHBondContact O-CB 3.27Å; W132-A152 HydrophobicContact CZ2-CB 4.32Å; H150-A152 PolarHBondContact O-N 2.93Å; A152-Q154 VanDerWaalsContact C-N 3.35Å; A152-Q154 PolarHBondContact O-N 2.88Å; A152-W155 PolarHBondContact O-N 2.7Å; A152-R156 VanDerWaalsContact O-CB 3.28Å; A152-R156 WeakPolarHBondContact O-CB 3.37Å; A152-R156 PolarHBondContact O-N 3.17Å
153	E	98.1	Very high	98.2	Very high	124 Å²	124	64.6 Å²	64.6	58%	0.579	34%	0.338	S	S	*	.	H	α-helix	trans	-66.8	-38.3	-179.3	-64.6	174	-157.1	0	0	111.5	H150 V151 R156 A157	H150-E153 HydrophobicContact CB-CG 4.45Å; H150-E153 IonicContact CE1-OE1 3.21Å; H150-E153 IonicContact CG-OE1 2.78Å; H150-E153 IonicContact ND1-OE1 3.53Å; H150-E153 PolarHBondContact ND1-OE1 3.43Å; H150-E153 PolarHBondContact O-N 2.99Å; H150-E153 VanDerWaalsContact O-N 3.08Å; V151-E153 VanDerWaalsContact C-N 3.31Å; V151-E153 PolarHBondContact O-N 2.83Å; E153-R156 PolarHBondContact O-N 2.86Å; E153-A157 WeakPolarHBondContact O-CB 3.23Å; E153-A157 PolarHBondContact O-N 3.33Å
154	Q	97.4	Very high	98.2	Very high	134 Å²	134	62.9 Å²	62.9	63%	0.626	33%	0.331	S	S	*	.	H	α-helix	trans	-65.1	-46.5	175.8	-59.3	179.4	17.4	0	0	111.2	V151 A152 A157 Y158	V151-Q154 PolarHBondContact O-N 2.99Å; A152-Q154 VanDerWaalsContact C-N 3.35Å; A152-Q154 PolarHBondContact O-N 2.88Å; Q154-A157 PolarHBondContact O-N 3Å; Q154-Y158 PolarHBondContact O-N 3.13Å; Q154-Y158 VanDerWaalsContact O-N 3.07Å
155	W	98.4	Very high	98.2	Very high	46 Å²	46	63.2 Å²	63.2	17%	0.174	33%	0.333	C	S	.	.	H	α-helix	trans	-63.7	-42.2	176.2	-80.7	109	0	0	0	111.9	Y98 R113 L125 W132 V151 A152 A157 Y158 L159	Y98-W155 HydrophobicContact CD1-CH2 4.28Å; Y98-W155 HydrophobicContact CD1-CZ3 4.46Å; Y98-W155 HydrophobicContact CD2-CH2 4.45Å; Y98-W155 AromaticContact CD2-CZ3 3.88Å; Y98-W155 HydrophobicContact CD2-CZ3 3.88Å; Y98-W155 HydrophobicContact CE2-CZ3 4.43Å; Y98-W155 HydrophobicContact CG-CH2 4.18Å; Y98-W155 AromaticContact CG-CZ3 3.9Å; Y98-W155 HydrophobicContact CG-CZ3 3.9Å; R113-W155 HydrophobicContact CB-CD2 4.4Å; R113-W155 HydrophobicContact CG-CD2 4.14Å; R113-W155 HydrophobicContact CG-CG 4.48Å; R113-W155 HydrophobicContact CG-CZ2 4.45Å; L125-W155 HydrophobicContact CD2-CB 4.03Å; W132-W155 AromaticContact CH2-CD1 3.85Å; V151-W155 VanDerWaalsContact O-CD1 3.3Å; V151-W155 PolarHBondContact O-N 2.8Å; A152-W155 PolarHBondContact O-N 2.7Å; W155-A157 PolarHBondContact O-N 3.32Å; W155-Y158 HydrophobicContact CE3-CD1 4.06Å; W155-Y158 AromaticContact CZ3-CD1 3.99Å; W155-Y158 HydrophobicContact CZ3-CD1 3.99Å; W155-Y158 HydrophobicContact CZ3-CE1 4.3Å; W155-Y158 PolarHBondContact O-N 3.21Å; W155-L159 HydrophobicContact CB-CD1 4.38Å; W155-L159 VanDerWaalsContact O-CB 3.27Å; W155-L159 WeakPolarHBondContact O-CB 3.36Å; W155-L159 WeakPolarHBondContact O-CG 3.43Å; W155-L159 PolarHBondContact O-N 2.99Å
156	R	98.5	Very high	98.3	Very high	80 Å²	80	59.6 Å²	59.6	30%	0.302	32%	0.316	S	S	.	.	H	α-helix	trans	-58.6	-47.2	176.4	-175.1	173.9	179.3	-143	-14.7	111.7	L129 A152 E153 Y158 L159 E160	L129-R156 HydrophobicContact CB-CB 4.08Å; L129-R156 HydrophobicContact CB-CG 3.9Å; L129-R156 HydrophobicContact CD1-CG 4.16Å; A152-R156 VanDerWaalsContact O-CB 3.28Å; A152-R156 WeakPolarHBondContact O-CB 3.37Å; A152-R156 PolarHBondContact O-N 3.17Å; E153-R156 PolarHBondContact O-N 2.86Å; R156-Y158 VanDerWaalsContact C-N 3.33Å; R156-Y158 PolarHBondContact O-N 2.73Å; R156-L159 PolarHBondContact O-N 3.1Å; R156-E160 HydrophobicContact CG-CG 4.18Å; R156-E160 WeakPolarHBondContact CG-OE1 3.3Å; R156-E160 IonicContact CZ-OE1 3.71Å; R156-E160 IonicContact CZ-OE2 3.65Å; R156-E160 IonicContact NE-OE1 3Å; R156-E160 PolarHBondContact NE-OE1 2.81Å; R156-E160 IonicContact NE-OE2 3.9Å; R156-E160 PolarHBondContact NE-OE2 3.08Å; R156-E160 IonicContact NH2-OE1 3.47Å; R156-E160 PolarHBondContact NH2-OE1 2.71Å; R156-E160 IonicContact NH2-OE2 2.72Å; R156-E160 PolarHBondContact NH2-OE2 3.19Å; R156-E160 WeakPolarHBondContact O-CB 3.34Å; R156-E160 PolarHBondContact O-N 2.82Å
157	A	98.4	Very high	98.3	Very high	67 Å²	67	57.1 Å²	57.1	55%	0.554	31%	0.306	S	S	*	.	H	α-helix	trans	-60.2	-42.2	177.5	0	0	0	0	0	112.3	E153 Q154 W155 G161	E153-A157 WeakPolarHBondContact O-CB 3.23Å; E153-A157 PolarHBondContact O-N 3.33Å; Q154-A157 PolarHBondContact O-N 3Å; W155-A157 PolarHBondContact O-N 3.32Å; A157-G161 PolarHBondContact O-N 2.74Å; A157-G161 VanDerWaalsContact O-N 3.15Å
158	Y	98.4	Very high	98.3	Very high	58 Å²	58	59 Å²	59	23%	0.227	31%	0.31	C	S	.	.	I	π-helix	trans	-65.2	-47.4	175.2	171.4	-99	0	0	0	112.5	Y98 Q154 W155 R156 T162 C163	Y98-Y158 AromaticContact CD2-CE1 3.86Å; Y98-Y158 HydrophobicContact CD2-CE1 3.86Å; Y98-Y158 AromaticContact CE2-CE1 3.78Å; Y98-Y158 HydrophobicContact CE2-CE1 3.78Å; Y98-Y158 AromaticContact CE2-CZ 3.99Å; Q154-Y158 PolarHBondContact O-N 3.13Å; Q154-Y158 VanDerWaalsContact O-N 3.07Å; W155-Y158 HydrophobicContact CE3-CD1 4.06Å; W155-Y158 AromaticContact CZ3-CD1 3.99Å; W155-Y158 HydrophobicContact CZ3-CD1 3.99Å; W155-Y158 HydrophobicContact CZ3-CE1 4.3Å; W155-Y158 PolarHBondContact O-N 3.21Å; R156-Y158 VanDerWaalsContact C-N 3.33Å; R156-Y158 PolarHBondContact O-N 2.73Å; Y158-T162 HydrophobicContact CD2-CG2 4.08Å; Y158-T162 HydrophobicContact CE2-CG2 3.96Å; Y158-T162 PolarHBondContact O-N 2.79Å; Y158-T162 VanDerWaalsContact O-N 3.15Å; Y158-C163 HydrophobicContact CD1-CB 4.37Å; Y158-C163 HydrophobicContact CE1-CB 3.95Å; Y158-C163 WeakPolarHBondContact O-CB 3.31Å; Y158-C163 PolarHBondContact O-N 3.48Å
159	L	98.7	Very high	98.3	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.3	C	S	.	.	I	π-helix	trans	-71	-41.9	-173.1	-69.8	172	0	0	0	112.6	G99 F108 L125 L129 W155 R156	G99-L159 WeakPolarHBondContact O-CD2 3.47Å; F108-L159 WeakPolarHBondContact CE2-O 3.39Å; L125-L159 HydrophobicContact CD2-CD1 3.96Å; L129-L159 HydrophobicContact CD2-CD1 4.09Å; W155-L159 HydrophobicContact CB-CD1 4.38Å; W155-L159 VanDerWaalsContact O-CB 3.27Å; W155-L159 WeakPolarHBondContact O-CB 3.36Å; W155-L159 WeakPolarHBondContact O-CG 3.43Å; W155-L159 PolarHBondContact O-N 2.99Å; R156-L159 PolarHBondContact O-N 3.1Å
160	E	98.4	Very high	98.3	Very high	78 Å²	78	58.2 Å²	58.2	36%	0.364	28%	0.277	S	S	.	.	I	π-helix	trans	-78.1	-25.3	178.4	-67.6	-178.9	178.5	0	0	112.3	F108 L129 R156	F108-E160 HydrophobicContact CD1-CG 4.17Å; F108-E160 HydrophobicContact CE1-CG 3.91Å; F108-E160 HydrophobicContact CE2-CG 4.42Å; F108-E160 HydrophobicContact CZ-CG 4.03Å; L129-E160 HydrophobicContact CD1-CG 4.01Å; R156-E160 HydrophobicContact CG-CG 4.18Å; R156-E160 WeakPolarHBondContact CG-OE1 3.3Å; R156-E160 IonicContact CZ-OE1 3.71Å; R156-E160 IonicContact CZ-OE2 3.65Å; R156-E160 IonicContact NE-OE1 3Å; R156-E160 PolarHBondContact NE-OE1 2.81Å; R156-E160 IonicContact NE-OE2 3.9Å; R156-E160 PolarHBondContact NE-OE2 3.08Å; R156-E160 IonicContact NH2-OE1 3.47Å; R156-E160 PolarHBondContact NH2-OE1 2.71Å; R156-E160 IonicContact NH2-OE2 2.72Å; R156-E160 PolarHBondContact NH2-OE2 3.19Å; R156-E160 WeakPolarHBondContact O-CB 3.34Å; R156-E160 PolarHBondContact O-N 2.82Å
161	G	98.4	Very high	98.3	Very high	24 Å²	24	53.8 Å²	53.8	25%	0.247	26%	0.257	C	S	.	.	I	π-helix	trans	-107.9	-92.6	-177	0	0	0	0	0	113.1	A157 C163 V164 E165	A157-G161 PolarHBondContact O-N 2.74Å; A157-G161 VanDerWaalsContact O-N 3.15Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 2.83Å; G161-V164 WeakPolarHBondContact O-CB 3.17Å; G161-V164 PolarHBondContact O-N 2.81Å; G161-E165 PolarHBondContact O-N 3.22Å
162	T	98.2	Very high	98.2	Very high	56 Å²	56	58.9 Å²	58.9	34%	0.344	28%	0.279	S	S	.	.	I	π-helix	trans	-53.6	-41.1	-170.3	-57.3	0	0	0	0	113.5	Y158 V164 E165 W166	Y158-T162 HydrophobicContact CD2-CG2 4.08Å; Y158-T162 HydrophobicContact CE2-CG2 3.96Å; Y158-T162 PolarHBondContact O-N 2.79Å; Y158-T162 VanDerWaalsContact O-N 3.15Å; T162-V164 PolarHBondContact O-N 3.27Å; T162-E165 PolarHBondContact O-N 3.32Å; T162-W166 PolarHBondContact O-N 2.84Å
163	C	98.6	Very high	98.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.1	-46.7	178	-175.5	0	0	0	0	111.7	M4 C100 Y158 G161 W166 L167	M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.25Å; M4-C163 WeakPolarHBondContact CE-O 3.43Å; M4-C163 WeakPolarHBondContact CE-SG 3.48Å; C100-C163 HydrophobicContact CB-CB 3.89Å; C100-C163 WeakPolarHBondContact CB-SG 3.47Å; C100-C163 PolarHBondContact N-SG 3.27Å; C100-C163 WeakPolarHBondContact SG-CB 3.27Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.84Å; Y158-C163 HydrophobicContact CD1-CB 4.37Å; Y158-C163 HydrophobicContact CE1-CB 3.95Å; Y158-C163 WeakPolarHBondContact O-CB 3.31Å; Y158-C163 PolarHBondContact O-N 3.48Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 2.83Å; C163-W166 PolarHBondContact O-N 2.93Å; C163-L167 WeakPolarHBondContact O-CB 3.28Å; C163-L167 PolarHBondContact O-N 2.87Å
164	V	98.6	Very high	98.1	Very high	6 Å²	6	55 Å²	55	4%	0.036	26%	0.262	C	S	.	.	H	α-helix	trans	-65.6	-41.5	179.1	174.2	0	0	0	0	111.3	V102 F108 G161 T162 L167 R168	V102-V164 HydrophobicContact CG1-CB 4.41Å; V102-V164 HydrophobicContact CG1-CG1 3.89Å; V102-V164 HydrophobicContact CG1-CG2 4.08Å; F108-V164 HydrophobicContact CB-CG2 4.02Å; F108-V164 HydrophobicContact CD2-CG2 3.62Å; F108-V164 HydrophobicContact CG-CG2 4.29Å; G161-V164 WeakPolarHBondContact O-CB 3.17Å; G161-V164 PolarHBondContact O-N 2.81Å; T162-V164 PolarHBondContact O-N 3.27Å; V164-L167 PolarHBondContact O-N 2.88Å; V164-R168 WeakPolarHBondContact O-CG 3.19Å; V164-R168 PolarHBondContact O-N 2.92Å
165	E	98.4	Very high	98	Very high	125 Å²	125	53.7 Å²	53.7	58%	0.584	25%	0.254	S	S	*	.	H	α-helix	trans	-60.7	-46.8	177	-69.9	175.4	171	0	0	111.9	G161 T162 R168 R169	G161-E165 PolarHBondContact O-N 3.22Å; T162-E165 PolarHBondContact O-N 3.32Å; E165-R168 PolarHBondContact O-N 3.43Å; E165-R169 PolarHBondContact O-N 2.92Å; E165-R169 VanDerWaalsContact O-N 3.09Å
166	W	98.3	Very high	97.7	Very high	46 Å²	46	60.1 Å²	60.1	17%	0.174	29%	0.286	C	S	.	.	H	α-helix	trans	-66.1	-43.5	176.8	-80.4	107.7	0	0	0	112.2	M4 Y58 T162 C163 R168 R169 Y170	M4-W166 HydrophobicContact CE-CB 4.05Å; M4-W166 HydrophobicContact SD-CB 4.36Å; Y58-W166 AromaticContact CD2-CH2 3.7Å; Y58-W166 HydrophobicContact CD2-CH2 3.7Å; Y58-W166 HydrophobicContact CD2-CZ2 4.42Å; Y58-W166 AromaticContact CD2-CZ3 3.8Å; Y58-W166 HydrophobicContact CD2-CZ3 3.8Å; Y58-W166 HydrophobicContact CE2-CE3 4.23Å; Y58-W166 HydrophobicContact CE2-CH2 4.09Å; Y58-W166 AromaticContact CE2-CZ3 3.81Å; Y58-W166 HydrophobicContact CE2-CZ3 3.81Å; T162-W166 PolarHBondContact O-N 2.84Å; C163-W166 PolarHBondContact O-N 2.93Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 3.1Å; W166-R169 PolarHBondContact O-N 2.61Å; W166-R169 VanDerWaalsContact O-N 3.17Å; W166-Y170 HydrophobicContact CB-CE2 3.95Å; W166-Y170 HydrophobicContact CE3-CD1 4.43Å; W166-Y170 AromaticContact CE3-CE1 3.49Å; W166-Y170 HydrophobicContact CE3-CE1 3.49Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.49Å; W166-Y170 HydrophobicContact CE3-CE2 4.35Å; W166-Y170 AromaticContact CE3-CZ 3.43Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.43Å; W166-Y170 AromaticContact CZ3-CE1 3.97Å; W166-Y170 HydrophobicContact CZ3-CE1 3.97Å; W166-Y170 VanDerWaalsContact O-CD2 3.29Å; W166-Y170 WeakPolarHBondContact O-CD2 3.45Å; W166-Y170 PolarHBondContact O-N 2.83Å
167	L	98.6	Very high	97.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-45.2	177.3	175.4	52.2	0	0	0	111.3	H2 M4 V27 V102 C163 V164 R169 Y170 L171	H2-L167 HydrophobicContact CB-CD1 4.4Å; M4-L167 HydrophobicContact CB-CB 4.09Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 4.14Å; M4-L167 HydrophobicContact CB-CG 4.3Å; V27-L167 HydrophobicContact CG1-CD1 3.64Å; V27-L167 HydrophobicContact CG2-CD1 4.33Å; V102-L167 HydrophobicContact CB-CD2 4.35Å; V102-L167 HydrophobicContact CG1-CD2 3.94Å; V102-L167 HydrophobicContact CG2-CD2 3.64Å; V102-L167 HydrophobicContact CG2-CG 4.17Å; C163-L167 WeakPolarHBondContact O-CB 3.28Å; C163-L167 PolarHBondContact O-N 2.87Å; V164-L167 PolarHBondContact O-N 2.88Å; L167-R169 PolarHBondContact O-N 2.88Å; L167-Y170 PolarHBondContact O-N 3.23Å; L167-L171 HydrophobicContact CD1-CD1 3.85Å; L167-L171 HydrophobicContact CD1-CD2 4.45Å; L167-L171 HydrophobicContact CD1-CG 3.9Å; L167-L171 HydrophobicContact CG-CD1 4.01Å; L167-L171 WeakPolarHBondContact O-CB 3.44Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.32Å; L167-L171 PolarHBondContact O-N 2.7Å
168	R	98.1	Very high	97.2	Very high	119 Å²	119	55.4 Å²	55.4	45%	0.449	26%	0.259	S	S	.	.	H	α-helix	trans	-60	-44.4	175.3	-72.6	174	-177.8	173.6	0.8	112.4	G106 V164 E165 W166 Y170 L171 E172	G106-R168 PolarHBondContact O-NE 2.9Å; G106-R168 PolarHBondContact O-NH2 3.5Å; V164-R168 WeakPolarHBondContact O-CG 3.19Å; V164-R168 PolarHBondContact O-N 2.92Å; E165-R168 PolarHBondContact O-N 3.43Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 3.1Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 2.8Å; R168-L171 PolarHBondContact O-N 3.48Å; R168-E172 PolarHBondContact O-N 3.2Å; R168-E172 VanDerWaalsContact O-N 3.09Å
169	R	97.6	Very high	97	Very high	122 Å²	122	56.8 Å²	56.8	46%	0.46	27%	0.268	S	S	.	.	H	α-helix	trans	-60.9	-43.9	176.5	179	178.2	173.1	112.9	-5.5	111.5	E54 E165 W166 L167 E172 N173	E54-R169 IonicContact OE1-CZ 3.46Å; E54-R169 IonicContact OE1-NE 3.37Å; E54-R169 PolarHBondContact OE1-NE 3.44Å; E54-R169 IonicContact OE1-NH2 3.26Å; E54-R169 PolarHBondContact OE1-NH2 3.1Å; E54-R169 IonicContact OE2-CZ 3.53Å; E54-R169 IonicContact OE2-NE 2.73Å; E54-R169 IonicContact OE2-NH2 2.77Å; E54-R169 PolarHBondContact OE2-NH2 2.77Å; E165-R169 PolarHBondContact O-N 2.92Å; E165-R169 VanDerWaalsContact O-N 3.09Å; W166-R169 PolarHBondContact O-N 2.61Å; W166-R169 VanDerWaalsContact O-N 3.17Å; L167-R169 PolarHBondContact O-N 2.88Å; R169-E172 PolarHBondContact O-N 2.89Å; R169-N173 VanDerWaalsContact O-CB 3.27Å; R169-N173 WeakPolarHBondContact O-CB 3.36Å; R169-N173 PolarHBondContact O-N 3Å; R169-N173 PolarHBondContact O-OD1 2.88Å
170	Y	98.1	Very high	96.7	Very high	1 Å²	1	60.4 Å²	60.4	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-67.1	-38.8	178.8	-61.3	-27.8	0	0	0	112.7	M4 V27 F32 W50 I51 Y58 W166 L167 R168 E172 N173 G174 L178	M4-Y170 HydrophobicContact SD-CD2 3.74Å; M4-Y170 HydrophobicContact SD-CE2 3.52Å; M4-Y170 VanDerWaalsContact SD-CE2 3.52Å; V27-Y170 HydrophobicContact CG2-CD2 3.96Å; V27-Y170 HydrophobicContact CG2-CG 4.47Å; F32-Y170 HydrophobicContact CD2-CE2 4.45Å; F32-Y170 HydrophobicContact CE2-CD2 4.21Å; F32-Y170 AromaticContact CE2-CE2 3.62Å; F32-Y170 HydrophobicContact CE2-CE2 3.62Å; F32-Y170 AromaticContact CE2-CZ 3.93Å; F32-Y170 HydrophobicContact CZ-CD2 4.3Å; F32-Y170 AromaticContact CZ-CE2 3.8Å; F32-Y170 HydrophobicContact CZ-CE2 3.8Å; W50-Y170 HydrophobicContact CH2-CG 4.33Å; W50-Y170 AromaticContact CZ3-CD1 3.88Å; W50-Y170 HydrophobicContact CZ3-CD1 3.88Å; W50-Y170 HydrophobicContact CZ3-CD2 4.49Å; W50-Y170 AromaticContact CZ3-CG 3.78Å; W50-Y170 HydrophobicContact CZ3-CG 3.78Å; I51-Y170 HydrophobicContact CD1-CD1 3.78Å; I51-Y170 HydrophobicContact CD1-CE1 3.32Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.46Å; Y58-Y170 PolarHBondContact OH-OH 2.87Å; W166-Y170 HydrophobicContact CB-CE2 3.95Å; W166-Y170 HydrophobicContact CE3-CD1 4.43Å; W166-Y170 AromaticContact CE3-CE1 3.49Å; W166-Y170 HydrophobicContact CE3-CE1 3.49Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.49Å; W166-Y170 HydrophobicContact CE3-CE2 4.35Å; W166-Y170 AromaticContact CE3-CZ 3.43Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.43Å; W166-Y170 AromaticContact CZ3-CE1 3.97Å; W166-Y170 HydrophobicContact CZ3-CE1 3.97Å; W166-Y170 VanDerWaalsContact O-CD2 3.29Å; W166-Y170 WeakPolarHBondContact O-CD2 3.45Å; W166-Y170 PolarHBondContact O-N 2.83Å; L167-Y170 PolarHBondContact O-N 3.23Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 2.8Å; Y170-E172 VanDerWaalsContact C-N 3.29Å; Y170-E172 PolarHBondContact O-N 3.09Å; Y170-N173 PolarHBondContact O-N 3.18Å; Y170-G174 WeakPolarHBondContact O-CA 3.41Å; Y170-G174 PolarHBondContact O-N 2.82Å; Y170-L178 WeakPolarHBondContact O-CD1 2.86Å
171	L	97.5	Very high	96.6	Very high	15 Å²	15	59.5 Å²	59.5	8%	0.079	28%	0.281	C	S	.	.	H	α-helix	trans	-64.1	-33.8	175.1	-71.6	168.4	0	0	0	112.7	H2 V27 V102 L167 R168 K175 L178 Q179	H2-L171 HydrophobicContact CB-CD1 3.66Å; H2-L171 HydrophobicContact CB-CD2 3.97Å; H2-L171 HydrophobicContact CB-CG 4.39Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.44Å; V27-L171 HydrophobicContact CG1-CD2 4.09Å; V102-L171 HydrophobicContact CG2-CD1 4.46Å; L167-L171 HydrophobicContact CD1-CD1 3.85Å; L167-L171 HydrophobicContact CD1-CD2 4.45Å; L167-L171 HydrophobicContact CD1-CG 3.9Å; L167-L171 HydrophobicContact CG-CD1 4.01Å; L167-L171 WeakPolarHBondContact O-CB 3.44Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.32Å; L167-L171 PolarHBondContact O-N 2.7Å; R168-L171 PolarHBondContact O-N 3.48Å; L171-K175 WeakPolarHBondContact O-CA 3.32Å; L171-K175 WeakPolarHBondContact O-CB 3.44Å; L171-K175 PolarHBondContact O-N 2.81Å; L171-K175 VanDerWaalsContact O-N 3.15Å; L171-L178 HydrophobicContact CD2-CB 4.15Å; L171-L178 HydrophobicContact CD2-CD1 4.32Å; L171-Q179 PolarHBondContact O-NE2 3.17Å
172	E	97	Very high	96.5	Very high	127 Å²	127	61 Å²	61	59%	0.593	28%	0.283	S	S	*	.	H	α-helix	trans	-72.6	-50.1	173.6	-171.5	59.7	-149.3	0	0	110.9	R168 R169 Y170 G174 K175	R168-E172 PolarHBondContact O-N 3.2Å; R168-E172 VanDerWaalsContact O-N 3.09Å; R169-E172 PolarHBondContact O-N 2.89Å; Y170-E172 VanDerWaalsContact C-N 3.29Å; Y170-E172 PolarHBondContact O-N 3.09Å; E172-G174 VanDerWaalsContact C-N 3.29Å; E172-G174 PolarHBondContact O-N 3.16Å; E172-K175 WeakPolarHBondContact O-CB 3.29Å; E172-K175 PolarHBondContact O-N 2.86Å
173	N	97.2	Very high	96.5	Very high	48 Å²	48	60.6 Å²	60.6	26%	0.257	29%	0.286	S	S	.	.	H	α-helix	trans	-57.6	-40.6	178.9	-78.7	4.5	0	0	0	113	W50 Q53 E54 R169 Y170	W50-N173 WeakPolarHBondContact CB-O 3.5Å; Q53-N173 PolarHBondContact NE2-ND2 2.9Å; E54-N173 PolarHBondContact OE1-ND2 3.28Å; R169-N173 VanDerWaalsContact O-CB 3.27Å; R169-N173 WeakPolarHBondContact O-CB 3.36Å; R169-N173 PolarHBondContact O-N 3Å; R169-N173 PolarHBondContact O-OD1 2.88Å; Y170-N173 PolarHBondContact O-N 3.18Å
174	G	96.4	Very high	96.4	Very high	2 Å²	2	61 Å²	61	2%	0.021	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	19.6	-176.2	0	0	0	0	0	113.8	Y170 E172 E176 T177 L178	Y170-G174 WeakPolarHBondContact O-CA 3.41Å; Y170-G174 PolarHBondContact O-N 2.82Å; E172-G174 VanDerWaalsContact C-N 3.29Å; E172-G174 PolarHBondContact O-N 3.16Å; G174-E176 VanDerWaalsContact C-N 3.29Å; G174-E176 PolarHBondContact O-N 3.35Å; G174-E176 VanDerWaalsContact O-N 3.16Å; G174-T177 PolarHBondContact O-N 3.17Å; G174-L178 PolarHBondContact O-N 3.02Å
175	K	95.1	Very high	96.4	Very high	108 Å²	108	67.6 Å²	67.6	47%	0.47	32%	0.317	S	S	.	.	H	α-helix	trans	-48.3	-46.3	-171.4	-177.2	174.1	-175.7	173.9	0	114	L171 E172 T177 Q179	L171-K175 WeakPolarHBondContact O-CA 3.32Å; L171-K175 WeakPolarHBondContact O-CB 3.44Å; L171-K175 PolarHBondContact O-N 2.81Å; L171-K175 VanDerWaalsContact O-N 3.15Å; E172-K175 WeakPolarHBondContact O-CB 3.29Å; E172-K175 PolarHBondContact O-N 2.86Å; K175-T177 PolarHBondContact O-N 3.3Å; K175-Q179 WeakPolarHBondContact O-CB 3.38Å; K175-Q179 PolarHBondContact O-N 3.41Å; K175-Q179 VanDerWaalsContact O-N 3.09Å
176	E	93.1	Very high	96.3	Very high	180 Å²	180	63.5 Å²	63.5	84%	0.841	30%	0.301	S	S	*	.	H	α-helix	trans	-64.8	-23.5	-179.7	-63.1	-175.7	167.8	0	0	113.8	G174	G174-E176 VanDerWaalsContact C-N 3.29Å; G174-E176 PolarHBondContact O-N 3.35Å; G174-E176 VanDerWaalsContact O-N 3.16Å
177	T	92.8	Very high	96.1	Very high	44 Å²	44	65.1 Å²	65.1	27%	0.27	31%	0.31	S	S	.	.	H	α-helix	trans	-102.6	-42.8	-178.8	-55.2	0	0	0	0	112.4	G174 K175 R180	G174-T177 PolarHBondContact O-N 3.17Å; K175-T177 PolarHBondContact O-N 3.3Å; T177-R180 VanDerWaalsContact O-CG 3.32Å; T177-R180 WeakPolarHBondContact O-CG 3.35Å
178	L	94	Very high	95.9	Very high	4 Å²	4	66.8 Å²	66.8	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-85.9	-25	-172.3	-62.8	172.1	0	0	0	113	V27 T30 W50 Y170 L171 G174	V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.11Å; V27-L178 HydrophobicContact CG1-CD1 3.89Å; V27-L178 HydrophobicContact CG1-CD2 4.08Å; T30-L178 HydrophobicContact CG2-CD2 4.11Å; W50-L178 HydrophobicContact CD2-CD1 4.44Å; W50-L178 HydrophobicContact CH2-CD1 4.24Å; W50-L178 HydrophobicContact CZ2-CD1 3.82Å; W50-L178 HydrophobicContact CZ2-CD2 4.02Å; W50-L178 HydrophobicContact CZ2-CG 4.29Å; Y170-L178 WeakPolarHBondContact O-CD1 2.86Å; L171-L178 HydrophobicContact CD2-CB 4.15Å; L171-L178 HydrophobicContact CD2-CD1 4.32Å; G174-L178 PolarHBondContact O-N 3.02Å
179	Q	92.8	Very high	95.7	Very high	88 Å²	88	62.8 Å²	62.8	41%	0.411	31%	0.307	S	S	.	.	S	Bend	trans	-108.4	13.9	178.3	-54.8	179.7	34.2	0	0	111.9	L171 K175	L171-Q179 PolarHBondContact O-NE2 3.17Å; K175-Q179 WeakPolarHBondContact O-CB 3.38Å; K175-Q179 PolarHBondContact O-N 3.41Å; K175-Q179 VanDerWaalsContact O-N 3.09Å
180	R	94.4	Very high	95.5	Very high	75 Å²	75	60.1 Å²	60.1	28%	0.283	30%	0.3	S	S	.	.			trans	-78.1	157.2	171.7	80.8	-172.1	174.8	-169.2	2.1	110	T177 D182 Y208	T177-R180 VanDerWaalsContact O-CG 3.32Å; T177-R180 WeakPolarHBondContact O-CG 3.35Å; R180-D182 IonicContact CZ-OD2 2.71Å; R180-D182 IonicContact NE-OD2 3.09Å; R180-D182 PolarHBondContact NE-OD2 2.85Å; R180-Y208 HydrophobicContact CG-CD1 3.8Å; R180-Y208 HydrophobicContact CG-CE1 4.2Å; R180-Y208 WeakPolarHBondContact O-CD1 3.46Å
181	T	95	Very high	95.2	Very high	59 Å²	59	64.2 Å²	64.2	36%	0.362	32%	0.319	S	S	.	.			trans	-135.3	115.4	170.9	-32.9	0	0	0	0	108.6	Y208 E263	T181-Y208 WeakPolarHBondContact CA-O 3.42Å; T181-E263 HydrophobicContact CG2-CB 4.01Å; T181-E263 HydrophobicContact CG2-CG 4.11Å
182	D	96.3	Very high	94.9	Very high	55 Å²	55	67.2 Å²	67.2	29%	0.294	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-105.1	114	-178.7	-61.6	-38.5	0	0	0	108.2	R180 F207 Y208 H262	R180-D182 IonicContact CZ-OD2 2.71Å; R180-D182 IonicContact NE-OD2 3.09Å; R180-D182 PolarHBondContact NE-OD2 2.85Å; D182-F207 VanDerWaalsContact O-CA 3.27Å; D182-F207 WeakPolarHBondContact O-CA 3.38Å; D182-F207 WeakPolarHBondContact O-CB 3.39Å; D182-Y208 PolarHBondContact N-O 2.84Å; D182-Y208 PolarHBondContact O-N 3.32Å; D182-Y208 VanDerWaalsContact O-N 3.13Å; D182-H262 PolarHBondContact O-CE1 3.27Å; D182-H262 VanDerWaalsContact O-CE1 3.28Å
183	A	97.6	Very high	94.4	Very high	48 Å²	48	65.6 Å²	65.6	40%	0.397	34%	0.344	S	S	.	.			trans	-65.6	141.7	-179.9	0	0	0	0	0	111.6	K185 G264 L265	A183-K185 PolarHBondContact O-N 2.9Å; A183-G264 WeakPolarHBondContact CB-O 3.46Å; A183-L265 HydrophobicContact CB-CD2 4Å
184	P	97.9	Very high	94	Very high	9 Å²	9	65.9 Å²	65.9	6%	0.058	35%	0.35	C	S	.	.			trans	-65.4	131	179.8	27	-34.7	0	0	0	112.3	T186 A204 F207 I212 V260 H262 L265	P184-T186 HydrophobicContact CB-CG2 4.1Å; P184-T186 HydrophobicContact CG-CG2 4.3Å; P184-T186 PolarHBondContact O-N 2.82Å; P184-A204 HydrophobicContact CB-CB 3.87Å; P184-F207 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CD1 4.01Å; P184-F207 HydrophobicContact CB-CG 4.19Å; P184-I212 HydrophobicContact CB-CD1 4.08Å; P184-I212 HydrophobicContact CG-CD1 4.11Å; P184-V260 HydrophobicContact CG-CG1 4.01Å; P184-H262 HydrophobicContact CG-CB 4.13Å; P184-L265 HydrophobicContact CG-CD1 3.87Å; P184-L265 HydrophobicContact CG-CD2 4.4Å; P184-L265 HydrophobicContact CG-CG 4.19Å
185	K	97.6	Very high	93.5	Very high	144 Å²	144	72.9 Å²	72.9	63%	0.626	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	109.1	164.2	-65	177.4	-173.7	168.9	0	107.8	A183 L205	A183-K185 PolarHBondContact O-N 2.9Å; K185-L205 HydrophobicContact CB-CB 4.48Å; K185-L205 PolarHBondContact N-O 2.81Å; K185-L205 PolarHBondContact O-N 2.89Å
186	T	96.8	Very high	93.3	Very high	40 Å²	40	74.8 Å²	74.8	25%	0.245	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	144.5	-175.2	57.5	0	0	0	0	112	P184 W203 A204 V260 L269 L271	P184-T186 HydrophobicContact CB-CG2 4.1Å; P184-T186 HydrophobicContact CG-CG2 4.3Å; P184-T186 PolarHBondContact O-N 2.82Å; T186-W203 WeakPolarHBondContact CA-O 3.31Å; T186-W203 WeakPolarHBondContact CB-O 3.29Å; T186-A204 HydrophobicContact CG2-CB 4.41Å; T186-V260 HydrophobicContact CG2-CG1 4.34Å; T186-V260 HydrophobicContact CG2-CG2 4.17Å; T186-L269 HydrophobicContact CG2-CD1 4.45Å; T186-L271 HydrophobicContact CG2-CD1 4.08Å
187	H	94.6	Very high	93.3	Very high	79 Å²	79	70.7 Å²	70.7	37%	0.366	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	166.8	170.5	69.9	-77.2	0	0	0	109.9	W203	H187-W203 AromaticContact CD2-CD1 3.91Å; H187-W203 WeakPolarHBondContact CE1-CB 3.45Å; H187-W203 AromaticContact CE1-CD1 3.75Å; H187-W203 AromaticContact CE1-CG 3.44Å; H187-W203 VanDerWaalsContact CE1-CG 3.44Å; H187-W203 PolarHBondContact N-O 2.71Å; H187-W203 AromaticContact NE2-CD1 3.4Å; H187-W203 AromaticContact NE2-CG 3.58Å; H187-W203 AromaticContact NE2-NE1 3.92Å; H187-W203 PolarHBondContact O-N 2.91Å
188	M	94.8	Very high	93.2	Very high	36 Å²	36	68.7 Å²	68.7	18%	0.177	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	140	178.1	-64.5	-179.4	111.3	0	0	110.7	R201 C202 W216 C258 L271 W273	M188-R201 CarbonylContact C-O 3.53Å; M188-R201 VanDerWaalsContact CA-O 3.29Å; M188-R201 WeakPolarHBondContact CA-O 3.13Å; M188-C202 HydrophobicContact CE-CB 4.5Å; M188-W216 HydrophobicContact CE-CH2 3.05Å; M188-W216 HydrophobicContact CE-CZ2 3.84Å; M188-W216 HydrophobicContact CE-CZ3 3.58Å; M188-C258 HydrophobicContact CE-CB 3.8Å; M188-L271 HydrophobicContact CE-CB 4.26Å; M188-L271 HydrophobicContact CG-CB 4.33Å; M188-L271 HydrophobicContact SD-CB 3.81Å; M188-W273 HydrophobicContact SD-CB 4.25Å; M188-W273 PolarHBondContact SD-N 3.01Å
189	T	93.8	Very high	93.3	Very high	35 Å²	35	69.6 Å²	69.6	22%	0.215	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	145.2	169.4	66.6	0	0	0	0	109.9	H191 R201 W203	T189-H191 PolarHBondContact OG1-NE2 2.85Å; T189-R201 PolarHBondContact N-O 3.35Å; T189-R201 PolarHBondContact O-N 3.02Å; T189-W203 PolarHBondContact OG1-NE1 3.01Å
190	H	93.4	Very high	93.4	Very high	66 Å²	66	65.4 Å²	65.4	31%	0.306	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.3	177.5	165.4	-79.7	0	0	0	108.6	A198 L200 W273	H190-A198 WeakPolarHBondContact NE2-CB 3.43Å; H190-L200 HydrophobicContact CB-CD2 3.98Å; H190-W273 HydrophobicContact CB-CZ2 4.19Å; H190-W273 VanDerWaalsContact CB-NE1 3.28Å
191	H	91.3	Very high	93.4	Very high	87 Å²	87	64.1 Å²	64.1	40%	0.403	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	111.6	178.3	-58.3	-74.7	0	0	0	108.9	T189 V193 A198 T199 R201	T189-H191 PolarHBondContact OG1-NE2 2.85Å; H191-V193 PolarHBondContact O-N 2.81Å; H191-A198 CarbonylContact O-C 3.46Å; H191-A198 WeakPolarHBondContact O-CA 3.43Å; H191-T199 PolarHBondContact N-O 2.04Å; H191-T199 PolarHBondContact O-N 2.85Å; H191-R201 PolarHBondContact CD2-NH1 3.49Å; H191-R201 PolarHBondContact NE2-NH1 3.41Å; H191-R201 VanDerWaalsContact NE2-NH1 3.16Å
192	A	90.1	Very high	93.5	Very high	78 Å²	78	61.3 Å²	61.3	65%	0.645	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	127.5	172.9	0	0	0	0	0	109.4
193	V	87.4	Confident	93.5	Very high	93 Å²	93	60.8 Å²	60.8	56%	0.564	32%	0.324	S	S	*	.			trans	-98.3	-41.3	177.2	-179.4	0	0	0	0	109.7	H191 E197 T199	H191-V193 PolarHBondContact O-N 2.81Å; V193-E197 PolarHBondContact N-O 3.48Å; V193-T199 VanDerWaalsContact CG2-OG1 3.32Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.5Å
194	S	88.3	Confident	93.6	Very high	53 Å²	53	58.5 Å²	58.5	37%	0.371	31%	0.305	S	S	.	.	S	Bend	trans	-148.3	-178.9	173.9	71.8	0	0	0	0	110.3	H196 E197	S194-H196 PolarHBondContact O-N 2.9Å; S194-H196 PolarHBondContact OG-N 3.27Å; S194-H196 VanDerWaalsContact OG-N 3.17Å; S194-E197 PolarHBondContact N-O 3.05Å; S194-E197 PolarHBondContact O-N 2.99Å; S194-E197 VanDerWaalsContact O-O 3.06Å; S194-E197 PolarHBondContact OG-N 2.87Å
195	D	86.4	Confident	93.5	Very high	150 Å²	150	60.3 Å²	60.3	80%	0.802	31%	0.314	S	S	*	.	S	Bend	trans	-62.8	-19.9	172.5	-65.9	-23.9	0	0	0	112.6	S250	D195-S250 WeakPolarHBondContact O-CB 3.37Å; D195-S250 PolarHBondContact O-OG 2.96Å
196	H	90.4	Very high	93.5	Very high	148 Å²	148	55.5 Å²	55.5	69%	0.685	30%	0.298	S	S	*	.	S	Bend	trans	-106.4	-14.6	-175	-55.5	-48.2	0	0	0	114	S194 P249 S250	S194-H196 PolarHBondContact O-N 2.9Å; S194-H196 PolarHBondContact OG-N 3.27Å; S194-H196 VanDerWaalsContact OG-N 3.17Å; H196-P249 WeakPolarHBondContact O-CA 3.37Å; H196-S250 PolarHBondContact O-N 3.08Å; H196-S250 PolarHBondContact O-OG 3.2Å
197	E	92.8	Very high	93.6	Very high	94 Å²	94	53.6 Å²	53.6	44%	0.439	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	143	-171.9	-66.7	-179.9	173.6	0	0	112.5	V193 S194 V247 V248 S250	V193-E197 PolarHBondContact N-O 3.48Å; S194-E197 PolarHBondContact N-O 3.05Å; S194-E197 PolarHBondContact O-N 2.99Å; S194-E197 VanDerWaalsContact O-O 3.06Å; S194-E197 PolarHBondContact OG-N 2.87Å; E197-V247 HydrophobicContact CB-CG1 4.2Å; E197-V247 HydrophobicContact CG-CG1 4.38Å; E197-V248 WeakPolarHBondContact CA-O 3.38Å; E197-S250 PolarHBondContact N-OG 3.08Å
198	A	92.6	Very high	93.6	Very high	1 Å²	1	50 Å²	50	1%	0.008	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154.7	171.1	0	0	0	0	0	110.8	H190 H191 V247 V248	H190-A198 WeakPolarHBondContact NE2-CB 3.43Å; H191-A198 CarbonylContact O-C 3.46Å; H191-A198 WeakPolarHBondContact O-CA 3.43Å; A198-V247 WeakPolarHBondContact O-CA 3.5Å; A198-V248 HydrophobicContact CB-CG2 4.29Å; A198-V248 PolarHBondContact N-O 2.94Å; A198-V248 PolarHBondContact O-N 3.1Å
199	T	94.2	Very high	93.7	Very high	23 Å²	23	49.3 Å²	49.3	14%	0.141	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	121.1	168.5	-54.7	0	0	0	0	109	H191 V193 A245 V246	H191-T199 PolarHBondContact N-O 2.04Å; H191-T199 PolarHBondContact O-N 2.85Å; V193-T199 VanDerWaalsContact CG2-OG1 3.32Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.5Å; T199-A245 HydrophobicContact CG2-CB 3.87Å; T199-V246 WeakPolarHBondContact CA-O 3.28Å
200	L	95.1	Very high	93.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.8	165.9	-63.8	-178.9	0	0	0	109	H190 W216 A245 V246 V248 E253 W273	H190-L200 HydrophobicContact CB-CD2 3.98Å; L200-W216 HydrophobicContact CB-CH2 3.56Å; L200-W216 HydrophobicContact CB-CZ2 3.74Å; L200-W216 HydrophobicContact CD1-CH2 3.92Å; L200-W216 HydrophobicContact CD1-CZ3 4.33Å; L200-W216 HydrophobicContact CG-CH2 4.41Å; L200-A245 CarbonylContact O-C 3.59Å; L200-A245 WeakPolarHBondContact O-CA 3.49Å; L200-V246 HydrophobicContact CB-CG1 4.23Å; L200-V246 PolarHBondContact N-O 3.43Å; L200-V246 PolarHBondContact O-N 3.06Å; L200-V248 HydrophobicContact CD1-CG1 3.97Å; L200-V248 HydrophobicContact CD1-CG2 4.03Å; L200-V248 HydrophobicContact CG-CG1 4.19Å; L200-V248 HydrophobicContact CG-CG2 3.85Å; L200-E253 HydrophobicContact CD1-CB 4.04Å; L200-E253 HydrophobicContact CD1-CG 4.39Å; L200-E253 HydrophobicContact CD2-CG 4.29Å; L200-W273 HydrophobicContact CD1-CB 4.29Å; L200-W273 HydrophobicContact CD2-CB 4.02Å; L200-W273 HydrophobicContact CD2-CD2 4.35Å; L200-W273 HydrophobicContact CD2-CG 3.83Å
201	R	95.9	Very high	93.9	Very high	49 Å²	49	52 Å²	52	19%	0.185	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.4	175.9	-173.7	179.3	-65.6	116.6	0	110.2	M188 T189 H191 W203 W243 A245	M188-R201 CarbonylContact C-O 3.53Å; M188-R201 VanDerWaalsContact CA-O 3.29Å; M188-R201 WeakPolarHBondContact CA-O 3.13Å; T189-R201 PolarHBondContact N-O 3.35Å; T189-R201 PolarHBondContact O-N 3.02Å; H191-R201 PolarHBondContact CD2-NH1 3.49Å; H191-R201 PolarHBondContact NE2-NH1 3.41Å; H191-R201 VanDerWaalsContact NE2-NH1 3.16Å; R201-W203 HydrophobicContact CG-CZ2 4.35Å; R201-W243 HydrophobicContact CG-CB 4.02Å; R201-W243 HydrophobicContact CG-CD2 4.09Å; R201-W243 HydrophobicContact CG-CE3 3.78Å; R201-W243 HydrophobicContact CG-CG 4.24Å; R201-A245 HydrophobicContact CB-CB 4.09Å; R201-A245 HydrophobicContact CG-CB 4.14Å
202	C	96.3	Very high	94.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.8	175.6	-177.1	0	0	0	0	109.3	M188 W216 W243 V244 C258	M188-C202 HydrophobicContact CE-CB 4.5Å; C202-W216 HydrophobicContact CB-CZ2 3.96Å; C202-W243 CarbonylContact O-C 3.54Å; C202-W243 WeakPolarHBondContact O-CA 3.3Å; C202-W243 VanDerWaalsContact O-CB 3.24Å; C202-W243 WeakPolarHBondContact O-CB 3.35Å; C202-V244 HydrophobicContact CB-CG1 4.05Å; C202-V244 PolarHBondContact N-O 3.46Å; C202-V244 PolarHBondContact O-N 3.25Å; C202-C258 HydrophobicContact CB-CB 3.51Å; C202-C258 WeakPolarHBondContact CB-SG 3.29Å; C202-C258 WeakPolarHBondContact SG-CB 3.34Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.35Å
203	W	97.1	Very high	94.5	Very high	44 Å²	44	47.4 Å²	47.4	17%	0.167	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.9	-178.4	-67.1	87.8	0	0	0	110.8	T186 H187 T189 R201 L205 W243	T186-W203 WeakPolarHBondContact CA-O 3.31Å; T186-W203 WeakPolarHBondContact CB-O 3.29Å; H187-W203 AromaticContact CD2-CD1 3.91Å; H187-W203 WeakPolarHBondContact CE1-CB 3.45Å; H187-W203 AromaticContact CE1-CD1 3.75Å; H187-W203 AromaticContact CE1-CG 3.44Å; H187-W203 VanDerWaalsContact CE1-CG 3.44Å; H187-W203 PolarHBondContact N-O 2.71Å; H187-W203 AromaticContact NE2-CD1 3.4Å; H187-W203 AromaticContact NE2-CG 3.58Å; H187-W203 AromaticContact NE2-NE1 3.92Å; H187-W203 PolarHBondContact O-N 2.91Å; T189-W203 PolarHBondContact OG1-NE1 3.01Å; R201-W203 HydrophobicContact CG-CZ2 4.35Å; W203-L205 HydrophobicContact CE3-CD2 4.02Å; W203-W243 HydrophobicContact CD2-CB 3.92Å; W203-W243 HydrophobicContact CD2-CG 4.38Å; W203-W243 HydrophobicContact CE3-CB 3.81Å; W203-W243 AromaticContact CE3-CD1 3.76Å; W203-W243 HydrophobicContact CE3-CG 4.05Å; W203-W243 HydrophobicContact CG-CB 4.32Å; W203-W243 AromaticContact CH2-CD1 3.7Å; W203-W243 HydrophobicContact CH2-CG 4.25Å; W203-W243 HydrophobicContact CZ3-CB 4.27Å; W203-W243 AromaticContact CZ3-CD1 3.33Å; W203-W243 AromaticContact CZ3-CG 3.99Å; W203-W243 HydrophobicContact CZ3-CG 3.99Å
204	A	97.9	Very high	94.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.6	163.4	0	0	0	0	0	108	P184 T186 F207 I212 L214 Q241 K242	P184-A204 HydrophobicContact CB-CB 3.87Å; T186-A204 HydrophobicContact CG2-CB 4.41Å; A204-F207 HydrophobicContact CB-CD1 4.06Å; A204-F207 HydrophobicContact CB-CE1 3.87Å; A204-F207 WeakPolarHBondContact O-CE1 3.45Å; A204-I212 HydrophobicContact CB-CD1 3.75Å; A204-L214 HydrophobicContact CB-CD1 4.09Å; A204-L214 HydrophobicContact CB-CD2 4.07Å; A204-Q241 CarbonylContact O-C 3.59Å; A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 2.85Å; A204-K242 PolarHBondContact N-O 3.11Å; A204-K242 PolarHBondContact O-N 2.71Å; A204-K242 VanDerWaalsContact O-O 3.08Å
205	L	97.8	Very high	95.2	Very high	47 Å²	47	43 Å²	43	25%	0.246	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	155.4	-175.7	-58.7	179.7	0	0	0	111.2	K185 W203 F207 Q241	K185-L205 HydrophobicContact CB-CB 4.48Å; K185-L205 PolarHBondContact N-O 2.81Å; K185-L205 PolarHBondContact O-N 2.89Å; W203-L205 HydrophobicContact CE3-CD2 4.02Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 3.36Å; L205-Q241 HydrophobicContact CD2-CB 3.58Å
206	S	97.2	Very high	95.6	Very high	42 Å²	42	36 Å²	36	29%	0.294	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.1	43.1	171.3	-55.6	0	0	0	0	113.8	T239 F240	S206-T239 WeakPolarHBondContact CA-OG1 3.35Å; S206-F240 PolarHBondContact N-O 2.83Å
207	F	97.4	Very high	95.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	158	177.7	61.4	-91.5	0	0	0	112.6	D182 P184 A204 L205 P209 I212 T232 F240 K242 H262	D182-F207 VanDerWaalsContact O-CA 3.27Å; D182-F207 WeakPolarHBondContact O-CA 3.38Å; D182-F207 WeakPolarHBondContact O-CB 3.39Å; P184-F207 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CD1 4.01Å; P184-F207 HydrophobicContact CB-CG 4.19Å; A204-F207 HydrophobicContact CB-CD1 4.06Å; A204-F207 HydrophobicContact CB-CE1 3.87Å; A204-F207 WeakPolarHBondContact O-CE1 3.45Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 3.36Å; F207-P209 VanDerWaalsContact CD2-O 3.31Å; F207-P209 WeakPolarHBondContact CD2-O 3.21Å; F207-I212 HydrophobicContact CD1-CD1 3.96Å; F207-I212 HydrophobicContact CD2-CB 4.33Å; F207-I212 HydrophobicContact CD2-CD1 4Å; F207-I212 HydrophobicContact CE1-CD1 3.87Å; F207-I212 HydrophobicContact CE1-CG2 4.41Å; F207-I212 HydrophobicContact CE2-CB 3.76Å; F207-I212 HydrophobicContact CE2-CD1 3.93Å; F207-I212 HydrophobicContact CE2-CG1 4.43Å; F207-I212 HydrophobicContact CE2-CG2 3.59Å; F207-I212 HydrophobicContact CG-CD1 4.04Å; F207-I212 HydrophobicContact CZ-CB 4.11Å; F207-I212 HydrophobicContact CZ-CD1 3.88Å; F207-I212 HydrophobicContact CZ-CG2 3.51Å; F207-T232 HydrophobicContact CE2-CG2 4.09Å; F207-T232 HydrophobicContact CZ-CG2 3.84Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.41Å; F207-F240 HydrophobicContact CD2-CB 3.93Å; F207-F240 HydrophobicContact CE1-CB 4.22Å; F207-F240 WeakPolarHBondContact CE1-O 3.17Å; 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 3.23Å; F207-F240 PolarHBondContact O-N 3.25Å; F207-K242 HydrophobicContact CE1-CB 4.28Å; F207-K242 HydrophobicContact CZ-CB 4.09Å; F207-H262 AromaticContact CD2-CD2 3.87Å; F207-H262 AromaticContact CD2-NE2 3.64Å
208	Y	96.3	Very high	95.9	Very high	3 Å²	3	30.2 Å²	30.2	1%	0.012	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-153	135.2	174.5	-179	-84.8	0	0	0	109.6	T30 R180 T181 D182 G238 F240 H262	T30-Y208 PolarHBondContact OG1-OH 2.97Å; T30-Y208 VanDerWaalsContact OG1-OH 3.1Å; R180-Y208 HydrophobicContact CG-CD1 3.8Å; R180-Y208 HydrophobicContact CG-CE1 4.2Å; R180-Y208 WeakPolarHBondContact O-CD1 3.46Å; T181-Y208 WeakPolarHBondContact CA-O 3.42Å; D182-Y208 PolarHBondContact N-O 2.84Å; D182-Y208 PolarHBondContact O-N 3.32Å; D182-Y208 VanDerWaalsContact O-N 3.13Å; Y208-G238 WeakPolarHBondContact CD2-O 3.37Å; Y208-F240 HydrophobicContact CD2-CD2 4.35Å; Y208-F240 AromaticContact CD2-CE2 3.9Å; Y208-F240 HydrophobicContact CD2-CE2 3.9Å; Y208-F240 HydrophobicContact CE2-CE2 4.31Å; Y208-H262 PolarHBondContact O-CE1 2.83Å
209	P	95.6	Very high	95.9	Very high	22 Å²	22	35 Å²	35	14%	0.143	18%	0.178	C	C	.	.	S	Bend	cis	-76.2	-179.8	5.1	32.5	-37.6	0	0	0	113.5	F207 E211 H262	F207-P209 VanDerWaalsContact CD2-O 3.31Å; F207-P209 WeakPolarHBondContact CD2-O 3.21Å; P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 2.72Å; P209-H262 PolarHBondContact O-NE2 3.17Å
210	A	96.4	Very high	95.7	Very high	13 Å²	13	36.2 Å²	36.2	11%	0.107	20%	0.196	C	C	.	.	S	Bend	trans	-69.5	-25.6	-175.7	0	0	0	0	0	113.8	D29 I212 T232 F240	D29-A210 HydrophobicContact CB-CB 4.13Å; D29-A210 VanDerWaalsContact CG-CB 3.46Å; D29-A210 VanDerWaalsContact OD2-CB 3.27Å; D29-A210 WeakPolarHBondContact OD2-CB 3.26Å; D29-A210 PolarHBondContact OD2-N 3.2Å; A210-I212 PolarHBondContact O-N 2.78Å; A210-I212 VanDerWaalsContact O-N 3.15Å; A210-T232 HydrophobicContact CB-CG2 4.22Å; A210-T232 WeakPolarHBondContact O-CG2 3.16Å; A210-F240 HydrophobicContact CB-CD1 3.67Å; A210-F240 HydrophobicContact CB-CD2 3.72Å; A210-F240 HydrophobicContact CB-CE1 3.66Å; A210-F240 HydrophobicContact CB-CE2 3.73Å; A210-F240 HydrophobicContact CB-CG 3.72Å; A210-F240 HydrophobicContact CB-CZ 3.73Å
211	E	95.9	Very high	95.6	Very high	145 Å²	145	42.5 Å²	42.5	68%	0.678	23%	0.225	S	C	*	.			trans	-63.7	114.3	178.5	-171.9	59.7	-145.3	0	0	110.2	P209 H262	P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 2.72Å; E211-H262 PolarHBondContact O-CD2 2.72Å
212	I	96.6	Very high	95.3	Very high	11 Å²	11	44.9 Å²	44.9	6%	0.056	24%	0.242	C	C	.	.			trans	-151.5	141.5	-179.1	-163.6	171.2	0	0	0	109.3	P184 A204 F207 A210 L214 K242 V260 Q261 H262	P184-I212 HydrophobicContact CB-CD1 4.08Å; P184-I212 HydrophobicContact CG-CD1 4.11Å; A204-I212 HydrophobicContact CB-CD1 3.75Å; F207-I212 HydrophobicContact CD1-CD1 3.96Å; F207-I212 HydrophobicContact CD2-CB 4.33Å; F207-I212 HydrophobicContact CD2-CD1 4Å; F207-I212 HydrophobicContact CE1-CD1 3.87Å; F207-I212 HydrophobicContact CE1-CG2 4.41Å; F207-I212 HydrophobicContact CE2-CB 3.76Å; F207-I212 HydrophobicContact CE2-CD1 3.93Å; F207-I212 HydrophobicContact CE2-CG1 4.43Å; F207-I212 HydrophobicContact CE2-CG2 3.59Å; F207-I212 HydrophobicContact CG-CD1 4.04Å; F207-I212 HydrophobicContact CZ-CB 4.11Å; F207-I212 HydrophobicContact CZ-CD1 3.88Å; F207-I212 HydrophobicContact CZ-CG2 3.51Å; A210-I212 PolarHBondContact O-N 2.78Å; A210-I212 VanDerWaalsContact O-N 3.15Å; I212-L214 HydrophobicContact CB-CD1 4.4Å; I212-L214 HydrophobicContact CD1-CD1 3.61Å; I212-L214 HydrophobicContact CG1-CD1 3.57Å; I212-L214 HydrophobicContact CG2-CD1 4.05Å; I212-K242 HydrophobicContact CG2-CB 4.21Å; I212-K242 HydrophobicContact CG2-CD 3.53Å; I212-V260 HydrophobicContact CD1-CG1 4.02Å; I212-V260 HydrophobicContact CG1-CG1 4.37Å; I212-Q261 WeakPolarHBondContact CG1-O 3.27Å; I212-H262 HydrophobicContact CD1-CB 4.21Å; I212-H262 HydrophobicContact CG1-CB 4Å
213	T	96.2	Very high	94.9	Very high	57 Å²	57	45.8 Å²	45.8	35%	0.35	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.8	174.7	-62	0	0	0	0	110.1	T215 V260 Q261	T213-T215 HydrophobicContact CG2-CG2 4.07Å; T213-V260 WeakPolarHBondContact O-CA 3.48Å; T213-Q261 PolarHBondContact N-O 3.42Å; T213-Q261 PolarHBondContact O-N 2.91Å
214	L	95.8	Very high	93.9	Very high	10 Å²	10	49 Å²	49	5%	0.052	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125	174.4	-87.9	64.1	0	0	0	108.4	A204 I212 K242 V244 H259 V260	A204-L214 HydrophobicContact CB-CD1 4.09Å; A204-L214 HydrophobicContact CB-CD2 4.07Å; I212-L214 HydrophobicContact CB-CD1 4.4Å; I212-L214 HydrophobicContact CD1-CD1 3.61Å; I212-L214 HydrophobicContact CG1-CD1 3.57Å; I212-L214 HydrophobicContact CG2-CD1 4.05Å; L214-K242 HydrophobicContact CD1-CD 4.27Å; L214-K242 HydrophobicContact CD2-CB 4.35Å; L214-K242 HydrophobicContact CD2-CG 4.4Å; L214-V244 HydrophobicContact CB-CB 4.3Å; L214-V244 HydrophobicContact CB-CG1 3.78Å; L214-V244 HydrophobicContact CD2-CG1 4.24Å; L214-V244 HydrophobicContact CG-CG1 4.47Å; L214-H259 WeakPolarHBondContact CA-O 3.49Å; L214-V260 HydrophobicContact CD1-CG1 3.99Å; L214-V260 HydrophobicContact CG-CG2 4.3Å
215	T	94.9	Very high	92.5	Very high	45 Å²	45	57.8 Å²	57.8	28%	0.276	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	152	-179.9	49.7	0	0	0	0	111.2	T213 C258 H259	T213-T215 HydrophobicContact CG2-CG2 4.07Å; T215-C258 CarbonylContact O-C 3.5Å; T215-C258 WeakPolarHBondContact O-CA 3.04Å; T215-H259 PolarHBondContact N-O 3.31Å; T215-H259 PolarHBondContact O-N 2.99Å; T215-H259 WeakPolarHBondContact OG1-CB 3.02Å
216	W	95.4	Very high	91.2	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.008	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	139.5	171	-82.8	107.8	0	0	0	110.2	M188 L200 C202 Q223 T227 V244 V246 T257 C258	M188-W216 HydrophobicContact CE-CH2 3.05Å; M188-W216 HydrophobicContact CE-CZ2 3.84Å; M188-W216 HydrophobicContact CE-CZ3 3.58Å; L200-W216 HydrophobicContact CB-CH2 3.56Å; L200-W216 HydrophobicContact CB-CZ2 3.74Å; L200-W216 HydrophobicContact CD1-CH2 3.92Å; L200-W216 HydrophobicContact CD1-CZ3 4.33Å; L200-W216 HydrophobicContact CG-CH2 4.41Å; C202-W216 HydrophobicContact CB-CZ2 3.96Å; W216-Q223 HydrophobicContact CB-CB 4.15Å; W216-Q223 PolarHBondContact O-N 2.89Å; W216-T227 HydrophobicContact CB-CG2 3.93Å; W216-T227 HydrophobicContact CG-CG2 4.15Å; W216-V244 PolarHBondContact NE1-O 3.03Å; W216-V244 VanDerWaalsContact NE1-O 3.16Å; W216-V246 HydrophobicContact CD2-CB 4.24Å; W216-V246 HydrophobicContact CD2-CG1 3.53Å; W216-V246 VanDerWaalsContact CE2-CG1 3.47Å; W216-V246 HydrophobicContact CE3-CG1 3.95Å; W216-V246 HydrophobicContact CG-CB 4.03Å; W216-V246 HydrophobicContact CG-CG1 3.85Å; W216-V246 HydrophobicContact CH2-CG1 4.12Å; W216-V246 HydrophobicContact CZ2-CG1 3.8Å; W216-V246 HydrophobicContact CZ3-CG1 4.24Å; W216-T257 WeakPolarHBondContact CA-O 3.05Å; W216-T257 VanDerWaalsContact CE3-C 3.41Å; W216-T257 VanDerWaalsContact CE3-O 3.27Å; W216-C258 HydrophobicContact CD2-CB 4.3Å; W216-C258 HydrophobicContact CE3-CB 4.16Å; W216-C258 HydrophobicContact CH2-CB 4.29Å; W216-C258 HydrophobicContact CZ2-CB 4.34Å; W216-C258 HydrophobicContact CZ3-CB 4.15Å
217	Q	95.1	Very high	90.3	Very high	43 Å²	43	60.1 Å²	60.1	20%	0.201	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	146.6	168.9	-69.3	-173.2	-8	0	0	110	E221 D222 Y256 T257 H259	Q217-E221 CarbonylContact C-O 3.52Å; Q217-E221 VanDerWaalsContact CA-O 3.26Å; Q217-E221 WeakPolarHBondContact CA-O 3.43Å; Q217-D222 VanDerWaalsContact CG-OD1 3.25Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.47Å; Q217-D222 PolarHBondContact NE2-OD1 3.49Å; Q217-Y256 CarbonylContact O-C 3.54Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.47Å; Q217-T257 PolarHBondContact N-O 3.09Å; Q217-T257 PolarHBondContact O-N 3.07Å; Q217-H259 PolarHBondContact OE1-CE1 3.33Å; Q217-H259 PolarHBondContact OE1-NE2 3.47Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.14Å
218	R	94.7	Very high	89.8	Confident	78 Å²	78	65.5 Å²	65.5	29%	0.294	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117	168.1	-178.3	-179	67.1	-163.4	-4.8	108.2	G220 E221 Q223 R255 Y256	R218-G220 PolarHBondContact O-N 2.88Å; R218-E221 PolarHBondContact N-O 2.97Å; R218-E221 PolarHBondContact O-N 3.24Å; R218-Q223 HydrophobicContact CB-CG 4.01Å; R218-R255 WeakPolarHBondContact CA-O 3.38Å; R218-R255 HydrophobicContact CG-CB 4.32Å; R218-Y256 HydrophobicContact CB-CD1 4.15Å; R218-Y256 HydrophobicContact CB-CE1 4.01Å; R218-Y256 HydrophobicContact CG-CD2 4.46Å; R218-Y256 HydrophobicContact CG-CE1 4.25Å; R218-Y256 HydrophobicContact CG-CE2 4.13Å
219	D	92.8	Very high	89.2	Confident	100 Å²	100	70 Å²	70	54%	0.535	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	30.4	-175.6	-52.9	-49.2	0	0	0	114.3	R255	D219-R255 PolarHBondContact N-O 3.13Å; D219-R255 WeakPolarHBondContact OD1-CB 3.42Å; D219-R255 IonicContact OD1-NE 2.79Å; D219-R255 PolarHBondContact OD1-NE 2.69Å; D219-R255 IonicContact OD2-CZ 3.19Å; D219-R255 IonicContact OD2-NE 2.71Å; D219-R255 PolarHBondContact OD2-NE 3.36Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 2.71Å
220	G	89.5	Confident	88.9	Confident	50 Å²	50	70.9 Å²	70.9	52%	0.515	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	-1.8	-178.2	0	0	0	0	0	115.6	R218	R218-G220 PolarHBondContact O-N 2.88Å
221	E	91.9	Very high	88.7	Confident	131 Å²	131	78.2 Å²	78.2	61%	0.612	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	127.2	175.5	-64.2	-175.4	167.5	0	0	111.8	Q217 R218 Q223	Q217-E221 CarbonylContact C-O 3.52Å; Q217-E221 VanDerWaalsContact CA-O 3.26Å; Q217-E221 WeakPolarHBondContact CA-O 3.43Å; R218-E221 PolarHBondContact N-O 2.97Å; R218-E221 PolarHBondContact O-N 3.24Å; E221-Q223 PolarHBondContact O-N 3.08Å; E221-Q223 PolarHBondContact O-NE2 2.81Å
222	D	91.2	Very high	88.7	Confident	99 Å²	99	73.5 Å²	73.5	53%	0.529	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	131	-179.9	-69.5	-23.5	0	0	0	112.3	Q217	Q217-D222 VanDerWaalsContact CG-OD1 3.25Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.47Å; Q217-D222 PolarHBondContact NE2-OD1 3.49Å
223	Q	86.6	Confident	88.6	Confident	19 Å²	19	77.5 Å²	77.5	9%	0.089	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	96	174.6	-55.5	-58.1	-66.7	0	0	108.1	W216 R218 E221 T227 Y256	W216-Q223 HydrophobicContact CB-CB 4.15Å; W216-Q223 PolarHBondContact O-N 2.89Å; R218-Q223 HydrophobicContact CB-CG 4.01Å; E221-Q223 PolarHBondContact O-N 3.08Å; E221-Q223 PolarHBondContact O-NE2 2.81Å; Q223-T227 HydrophobicContact CB-CG2 4.34Å; Q223-T227 WeakPolarHBondContact O-CG2 3.34Å; Q223-T227 PolarHBondContact O-OG1 2.88Å; Q223-Y256 HydrophobicContact CG-CE1 4.38Å
224	T	76.1	Confident	88.6	Confident	112 Å²	112	79.3 Å²	79.3	69%	0.687	42%	0.417	S	S	*	.			trans	-104.3	-27.7	-178.3	49	0	0	0	0	113.7	T227	T224-T227 PolarHBondContact O-OG1 3.25Å
225	Q	69.9	Low	88.5	Confident	184 Å²	184	81.2 Å²	81.2	86%	0.86	43%	0.433	S	S	*	.	S	Bend	trans	-86.8	-29.6	-178.3	-68.1	-175.5	7.2	0	0	113.2	T227	Q225-T227 VanDerWaalsContact C-N 3.33Å
226	D	69.6	Low	88.4	Confident	105 Å²	105	82.7 Å²	82.7	56%	0.561	46%	0.458	S	S	*	.	S	Bend	trans	-95.9	14.6	-175.7	-60.6	-36.8	0	0	0	113
227	T	79.2	Confident	88.2	Confident	33 Å²	33	87.5 Å²	87.5	20%	0.202	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.8	-175.6	51.9	0	0	0	0	113.3	W216 Q223 T224 Q225 L229 V244 A245 V246	W216-T227 HydrophobicContact CB-CG2 3.93Å; W216-T227 HydrophobicContact CG-CG2 4.15Å; Q223-T227 HydrophobicContact CB-CG2 4.34Å; Q223-T227 WeakPolarHBondContact O-CG2 3.34Å; Q223-T227 PolarHBondContact O-OG1 2.88Å; T224-T227 PolarHBondContact O-OG1 3.25Å; Q225-T227 VanDerWaalsContact C-N 3.33Å; T227-L229 PolarHBondContact O-N 3.16Å; T227-V244 HydrophobicContact CG2-CG2 4.18Å; T227-A245 CarbonylContact C-O 3.55Å; T227-A245 WeakPolarHBondContact CA-O 3.39Å; T227-V246 HydrophobicContact CG2-CB 4.23Å; T227-V246 HydrophobicContact CG2-CG2 4.38Å
228	E	85.9	Confident	88	Confident	113 Å²	113	87.4 Å²	87.4	53%	0.528	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	106	165.1	-171.8	-174.4	-175.1	0	0	108.4	W243 V244 A245	E228-W243 HydrophobicContact CB-CZ3 4.2Å; E228-W243 VanDerWaalsContact CD-CH2 3.42Å; E228-W243 HydrophobicContact CG-CH2 3.91Å; E228-W243 HydrophobicContact CG-CZ3 3.91Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.25Å; E228-V244 CarbonylContact O-C 3.58Å; E228-V244 WeakPolarHBondContact O-CA 3.04Å; E228-A245 HydrophobicContact CB-CB 4.34Å; E228-A245 PolarHBondContact N-O 3.27Å; E228-A245 PolarHBondContact O-N 3.31Å
229	L	83.9	Confident	88.1	Confident	98 Å²	98	84.3 Å²	84.3	51%	0.513	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.9	178.2	-176.4	68.2	0	0	0	109.8	T227 V244	T227-L229 PolarHBondContact O-N 3.16Å; L229-V244 HydrophobicContact CB-CG2 4.39Å; L229-V244 HydrophobicContact CD1-CB 3.82Å; L229-V244 HydrophobicContact CD1-CG2 3.88Å
230	V	89.4	Confident	88.3	Confident	40 Å²	40	80.7 Å²	80.7	24%	0.242	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-95.9	142.3	171.9	178.7	0	0	0	0	110.4	K242 W243	V230-K242 WeakPolarHBondContact O-CE 3.36Å; V230-K242 WeakPolarHBondContact O-CG 3.33Å; V230-K242 PolarHBondContact O-NZ 2.88Å; V230-W243 HydrophobicContact CB-CD2 4.34Å; V230-W243 HydrophobicContact CB-CZ2 4.25Å; V230-W243 HydrophobicContact CG2-CD2 3.98Å; V230-W243 HydrophobicContact CG2-CE3 4.24Å; V230-W243 HydrophobicContact CG2-CH2 3.5Å; V230-W243 VanDerWaalsContact CG2-CH2 3.5Å; V230-W243 HydrophobicContact CG2-CZ2 3.17Å; V230-W243 HydrophobicContact CG2-CZ3 4.01Å; V230-W243 PolarHBondContact N-O 3.01Å
231	E	91.7	Very high	88.7	Confident	168 Å²	168	80.4 Å²	80.4	79%	0.785	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-55.9	150.5	171.5	-68.3	-173.8	167.4	0	0	111.2	R233	E231-R233 PolarHBondContact O-N 2.83Å
232	T	95.5	Very high	88.9	Confident	46 Å²	46	75.2 Å²	75.2	28%	0.282	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-65.8	128.6	176.4	-56.4	0	0	0	0	108.9	F207 A210 F240 K242	F207-T232 HydrophobicContact CE2-CG2 4.09Å; F207-T232 HydrophobicContact CZ-CG2 3.84Å; A210-T232 HydrophobicContact CB-CG2 4.22Å; A210-T232 WeakPolarHBondContact O-CG2 3.16Å; T232-F240 HydrophobicContact CG2-CB 3.76Å; T232-F240 HydrophobicContact CG2-CD1 3.91Å; T232-F240 HydrophobicContact CG2-CG 4.1Å; T232-K242 WeakPolarHBondContact OG1-CD 3.46Å; T232-K242 PolarHBondContact OG1-NZ 2.91Å
233	R	95.3	Very high	89.2	Confident	95 Å²	95	71.6 Å²	71.6	36%	0.358	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.1	-175.5	69.2	-169.6	-179.1	-179	4.9	111.4	E231 F240 Q241	E231-R233 PolarHBondContact O-N 2.83Å; R233-F240 WeakPolarHBondContact O-CA 3.13Å; R233-Q241 HydrophobicContact CG-CG 3.55Å; R233-Q241 PolarHBondContact N-O 2.83Å; R233-Q241 WeakPolarHBondContact O-CG 3.27Å; R233-Q241 PolarHBondContact O-N 3.12Å
234	P	95.8	Very high	89.6	Confident	95 Å²	95	70.8 Å²	70.8	62%	0.617	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	145.7	176.9	28.1	-34.2	0	0	0	111.1	F240	P234-F240 HydrophobicContact CB-CE1 4.33Å
235	A	95.1	Very high	90.5	Very high	49 Å²	49	65.5 Å²	65.5	41%	0.405	37%	0.367	S	S	.	.			trans	-89.7	-16.5	173.5	0	0	0	0	0	113	T239	A235-T239 WeakPolarHBondContact CB-O 3.5Å; A235-T239 PolarHBondContact N-O 2.81Å
236	G	91.9	Very high	91.7	Very high	77 Å²	77	56.9 Å²	56.9	79%	0.794	33%	0.327	S	S	*	.	S	Bend	trans	97	-9.3	178.7	0	0	0	0	0	115
237	D	91.3	Very high	92.9	Very high	103 Å²	103	55.2 Å²	55.2	55%	0.551	32%	0.321	S	S	*	.	S	Bend	trans	-104.5	13.8	176.8	62.1	-2	0	0	0	112.9	T239	D237-T239 WeakPolarHBondContact OD1-CB 3.38Å; D237-T239 PolarHBondContact OD1-N 3Å; D237-T239 PolarHBondContact OD1-OG1 3.19Å
238	G	90.8	Very high	93.5	Very high	40 Å²	40	53.7 Å²	53.7	41%	0.412	31%	0.311	S	S	.	.	S	Bend	trans	83.9	6.1	-173.5	0	0	0	0	0	114.4	Y208	Y208-G238 WeakPolarHBondContact CD2-O 3.37Å
239	T	96.1	Very high	93.9	Very high	13 Å²	13	50.6 Å²	50.6	8%	0.08	30%	0.301	C	S	.	.			trans	-108.3	172.8	171.1	73.6	0	0	0	0	112.2	S206 A235 D237	S206-T239 WeakPolarHBondContact CA-OG1 3.35Å; A235-T239 WeakPolarHBondContact CB-O 3.5Å; A235-T239 PolarHBondContact N-O 2.81Å; D237-T239 WeakPolarHBondContact OD1-CB 3.38Å; D237-T239 PolarHBondContact OD1-N 3Å; D237-T239 PolarHBondContact OD1-OG1 3.19Å
240	F	97.4	Very high	94.1	Very high	25 Å²	25	48.6 Å²	48.6	11%	0.11	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	162.4	-178	-63.2	-85.2	0	0	0	112.2	D29 S206 F207 Y208 A210 T232 R233 P234	D29-F240 HydrophobicContact CB-CE1 4.46Å; D29-F240 HydrophobicContact CB-CE2 3.79Å; D29-F240 HydrophobicContact CB-CZ 3.48Å; D29-F240 VanDerWaalsContact CB-CZ 3.48Å; S206-F240 PolarHBondContact N-O 2.83Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.41Å; F207-F240 HydrophobicContact CD2-CB 3.93Å; F207-F240 HydrophobicContact CE1-CB 4.22Å; F207-F240 WeakPolarHBondContact CE1-O 3.17Å; 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 3.23Å; F207-F240 PolarHBondContact O-N 3.25Å; Y208-F240 HydrophobicContact CD2-CD2 4.35Å; Y208-F240 AromaticContact CD2-CE2 3.9Å; Y208-F240 HydrophobicContact CD2-CE2 3.9Å; Y208-F240 HydrophobicContact CE2-CE2 4.31Å; A210-F240 HydrophobicContact CB-CD1 3.67Å; A210-F240 HydrophobicContact CB-CD2 3.72Å; A210-F240 HydrophobicContact CB-CE1 3.66Å; A210-F240 HydrophobicContact CB-CE2 3.73Å; A210-F240 HydrophobicContact CB-CG 3.72Å; A210-F240 HydrophobicContact CB-CZ 3.73Å; T232-F240 HydrophobicContact CG2-CB 3.76Å; T232-F240 HydrophobicContact CG2-CD1 3.91Å; T232-F240 HydrophobicContact CG2-CG 4.1Å; R233-F240 WeakPolarHBondContact O-CA 3.13Å; P234-F240 HydrophobicContact CB-CE1 4.33Å
241	Q	97.4	Very high	94	Very high	43 Å²	43	49.9 Å²	49.9	20%	0.201	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	145.9	174.3	44.7	168.9	-24.4	0	0	109.7	A204 L205 R233	A204-Q241 CarbonylContact O-C 3.59Å; A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 2.85Å; L205-Q241 HydrophobicContact CD2-CB 3.58Å; R233-Q241 HydrophobicContact CG-CG 3.55Å; R233-Q241 PolarHBondContact N-O 2.83Å; R233-Q241 WeakPolarHBondContact O-CG 3.27Å; R233-Q241 PolarHBondContact O-N 3.12Å
242	K	97.5	Very high	94.1	Very high	22 Å²	22	44.9 Å²	44.9	10%	0.096	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	152.9	177.6	-163.6	-176.6	-175.5	70	0	108.9	A204 F207 I212 L214 V230 T232	A204-K242 PolarHBondContact N-O 3.11Å; A204-K242 PolarHBondContact O-N 2.71Å; A204-K242 VanDerWaalsContact O-O 3.08Å; F207-K242 HydrophobicContact CE1-CB 4.28Å; F207-K242 HydrophobicContact CZ-CB 4.09Å; I212-K242 HydrophobicContact CG2-CB 4.21Å; I212-K242 HydrophobicContact CG2-CD 3.53Å; L214-K242 HydrophobicContact CD1-CD 4.27Å; L214-K242 HydrophobicContact CD2-CB 4.35Å; L214-K242 HydrophobicContact CD2-CG 4.4Å; V230-K242 WeakPolarHBondContact O-CE 3.36Å; V230-K242 WeakPolarHBondContact O-CG 3.33Å; V230-K242 PolarHBondContact O-NZ 2.88Å; T232-K242 WeakPolarHBondContact OG1-CD 3.46Å; T232-K242 PolarHBondContact OG1-NZ 2.91Å
243	W	96.4	Very high	93.9	Very high	23 Å²	23	43.6 Å²	43.6	9%	0.087	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	156.9	168.5	59.1	-96.1	0	0	0	111	R201 C202 W203 E228 V230 A245	R201-W243 HydrophobicContact CG-CB 4.02Å; R201-W243 HydrophobicContact CG-CD2 4.09Å; R201-W243 HydrophobicContact CG-CE3 3.78Å; R201-W243 HydrophobicContact CG-CG 4.24Å; C202-W243 CarbonylContact O-C 3.54Å; C202-W243 WeakPolarHBondContact O-CA 3.3Å; C202-W243 VanDerWaalsContact O-CB 3.24Å; C202-W243 WeakPolarHBondContact O-CB 3.35Å; W203-W243 HydrophobicContact CD2-CB 3.92Å; W203-W243 HydrophobicContact CD2-CG 4.38Å; W203-W243 HydrophobicContact CE3-CB 3.81Å; W203-W243 AromaticContact CE3-CD1 3.76Å; W203-W243 HydrophobicContact CE3-CG 4.05Å; W203-W243 HydrophobicContact CG-CB 4.32Å; W203-W243 AromaticContact CH2-CD1 3.7Å; W203-W243 HydrophobicContact CH2-CG 4.25Å; W203-W243 HydrophobicContact CZ3-CB 4.27Å; W203-W243 AromaticContact CZ3-CD1 3.33Å; W203-W243 AromaticContact CZ3-CG 3.99Å; W203-W243 HydrophobicContact CZ3-CG 3.99Å; E228-W243 HydrophobicContact CB-CZ3 4.2Å; E228-W243 VanDerWaalsContact CD-CH2 3.42Å; E228-W243 HydrophobicContact CG-CH2 3.91Å; E228-W243 HydrophobicContact CG-CZ3 3.91Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.25Å; V230-W243 HydrophobicContact CB-CD2 4.34Å; V230-W243 HydrophobicContact CB-CZ2 4.25Å; V230-W243 HydrophobicContact CG2-CD2 3.98Å; V230-W243 HydrophobicContact CG2-CE3 4.24Å; V230-W243 HydrophobicContact CG2-CH2 3.5Å; V230-W243 VanDerWaalsContact CG2-CH2 3.5Å; V230-W243 HydrophobicContact CG2-CZ2 3.17Å; V230-W243 HydrophobicContact CG2-CZ3 4.01Å; V230-W243 PolarHBondContact N-O 3.01Å; W243-A245 HydrophobicContact CE3-CB 4.04Å; W243-A245 HydrophobicContact CZ3-CB 3.71Å
244	V	95.8	Very high	93.7	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.012	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134	171.4	64.3	0	0	0	0	108.8	C202 L214 W216 T227 E228 L229	C202-V244 HydrophobicContact CB-CG1 4.05Å; C202-V244 PolarHBondContact N-O 3.46Å; C202-V244 PolarHBondContact O-N 3.25Å; L214-V244 HydrophobicContact CB-CB 4.3Å; L214-V244 HydrophobicContact CB-CG1 3.78Å; L214-V244 HydrophobicContact CD2-CG1 4.24Å; L214-V244 HydrophobicContact CG-CG1 4.47Å; W216-V244 PolarHBondContact NE1-O 3.03Å; W216-V244 VanDerWaalsContact NE1-O 3.16Å; T227-V244 HydrophobicContact CG2-CG2 4.18Å; E228-V244 CarbonylContact O-C 3.58Å; E228-V244 WeakPolarHBondContact O-CA 3.04Å; L229-V244 HydrophobicContact CB-CG2 4.39Å; L229-V244 HydrophobicContact CD1-CB 3.82Å; L229-V244 HydrophobicContact CD1-CG2 3.88Å
245	A	95.1	Very high	93.7	Very high	2 Å²	2	44.1 Å²	44.1	2%	0.017	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	152.2	178.7	0	0	0	0	0	111.5	T199 L200 R201 T227 E228 W243	T199-A245 HydrophobicContact CG2-CB 3.87Å; L200-A245 CarbonylContact O-C 3.59Å; L200-A245 WeakPolarHBondContact O-CA 3.49Å; R201-A245 HydrophobicContact CB-CB 4.09Å; R201-A245 HydrophobicContact CG-CB 4.14Å; T227-A245 CarbonylContact C-O 3.55Å; T227-A245 WeakPolarHBondContact CA-O 3.39Å; E228-A245 HydrophobicContact CB-CB 4.34Å; E228-A245 PolarHBondContact N-O 3.27Å; E228-A245 PolarHBondContact O-N 3.31Å; W243-A245 HydrophobicContact CE3-CB 4.04Å; W243-A245 HydrophobicContact CZ3-CB 3.71Å
246	V	94.9	Very high	93.6	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	142	175.6	65	0	0	0	0	108.9	T199 L200 W216 T227 V248 Y256	T199-V246 WeakPolarHBondContact CA-O 3.28Å; L200-V246 HydrophobicContact CB-CG1 4.23Å; L200-V246 PolarHBondContact N-O 3.43Å; L200-V246 PolarHBondContact O-N 3.06Å; W216-V246 HydrophobicContact CD2-CB 4.24Å; W216-V246 HydrophobicContact CD2-CG1 3.53Å; W216-V246 VanDerWaalsContact CE2-CG1 3.47Å; W216-V246 HydrophobicContact CE3-CG1 3.95Å; W216-V246 HydrophobicContact CG-CB 4.03Å; W216-V246 HydrophobicContact CG-CG1 3.85Å; W216-V246 HydrophobicContact CH2-CG1 4.12Å; W216-V246 HydrophobicContact CZ2-CG1 3.8Å; W216-V246 HydrophobicContact CZ3-CG1 4.24Å; T227-V246 HydrophobicContact CG2-CB 4.23Å; T227-V246 HydrophobicContact CG2-CG2 4.38Å; V246-V248 HydrophobicContact CG1-CG1 3.75Å; V246-V248 HydrophobicContact CG2-CG1 4.49Å; V246-Y256 HydrophobicContact CG1-CD1 4.03Å; V246-Y256 HydrophobicContact CG1-CE1 4.47Å; V246-Y256 HydrophobicContact CG2-CD1 4.24Å; V246-Y256 HydrophobicContact CG2-CE1 3.94Å
247	V	93.7	Very high	93.9	Very high	70 Å²	70	39 Å²	39	42%	0.424	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	128.4	170.9	-177.9	0	0	0	0	108.2	E197 A198	E197-V247 HydrophobicContact CB-CG1 4.2Å; E197-V247 HydrophobicContact CG-CG1 4.38Å; A198-V247 WeakPolarHBondContact O-CA 3.5Å
248	V	93.4	Very high	94.1	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.8	-177.3	-52.9	0	0	0	0	110.3	E197 A198 L200 V246 E253 Y256	E197-V248 WeakPolarHBondContact CA-O 3.38Å; A198-V248 HydrophobicContact CB-CG2 4.29Å; A198-V248 PolarHBondContact N-O 2.94Å; A198-V248 PolarHBondContact O-N 3.1Å; L200-V248 HydrophobicContact CD1-CG1 3.97Å; L200-V248 HydrophobicContact CD1-CG2 4.03Å; L200-V248 HydrophobicContact CG-CG1 4.19Å; L200-V248 HydrophobicContact CG-CG2 3.85Å; V246-V248 HydrophobicContact CG1-CG1 3.75Å; V246-V248 HydrophobicContact CG2-CG1 4.49Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; V248-Y256 HydrophobicContact CB-CD2 4.06Å; V248-Y256 HydrophobicContact CB-CE2 3.79Å; V248-Y256 HydrophobicContact CG1-CD1 3.73Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.71Å; V248-Y256 HydrophobicContact CG1-CE2 3.6Å; V248-Y256 HydrophobicContact CG1-CG 3.66Å
249	P	93.1	Very high	94.4	Very high	48 Å²	48	33.8 Å²	33.8	31%	0.312	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	139.9	170	-20	32.3	0	0	0	111.2	H196 G251 Q252	H196-P249 WeakPolarHBondContact O-CA 3.37Å; P249-G251 PolarHBondContact O-N 3.17Å; P249-Q252 HydrophobicContact CB-CB 4.39Å; P249-Q252 HydrophobicContact CB-CG 4.15Å; P249-Q252 WeakPolarHBondContact O-CB 3.49Å; P249-Q252 PolarHBondContact O-N 3.48Å
250	S	88.8	Confident	94.4	Very high	55 Å²	55	33.1 Å²	33.1	39%	0.385	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	129.5	175.8	-62.5	0	0	0	0	111.1	D195 H196 E197 Q252 E253	D195-S250 WeakPolarHBondContact O-CB 3.37Å; D195-S250 PolarHBondContact O-OG 2.96Å; H196-S250 PolarHBondContact O-N 3.08Å; H196-S250 PolarHBondContact O-OG 3.2Å; E197-S250 PolarHBondContact N-OG 3.08Å; S250-Q252 VanDerWaalsContact C-N 3.32Å; S250-E253 WeakPolarHBondContact CA-OE1 3.33Å
251	G	88	Confident	94.4	Very high	68 Å²	68	36.9 Å²	36.9	70%	0.701	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.2	-2.9	-179	0	0	0	0	0	114.9	P249 E253	P249-G251 PolarHBondContact O-N 3.17Å; G251-E253 WeakPolarHBondContact CA-OE2 3.27Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 3.39Å; G251-E253 PolarHBondContact N-OE2 3.38Å
252	Q	92.3	Very high	94.4	Very high	63 Å²	63	35.6 Å²	35.6	29%	0.294	20%	0.195	S	C	.	.			trans	-103.9	5.8	175.3	-60.4	-167.4	38.6	0	0	113.3	P249 S250 Q254 R255 Y256	P249-Q252 HydrophobicContact CB-CB 4.39Å; P249-Q252 HydrophobicContact CB-CG 4.15Å; P249-Q252 WeakPolarHBondContact O-CB 3.49Å; P249-Q252 PolarHBondContact O-N 3.48Å; S250-Q252 VanDerWaalsContact C-N 3.32Å; Q252-Q254 PolarHBondContact O-N 2.84Å; Q252-Q254 VanDerWaalsContact O-N 3.1Å; Q252-R255 WeakPolarHBondContact O-CB 3.36Å; Q252-R255 PolarHBondContact O-N 3.44Å; Q252-Y256 HydrophobicContact CB-CE2 4.46Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.32Å
253	E	92	Very high	94.3	Very high	19 Å²	19	41.8 Å²	41.8	9%	0.089	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-55.1	-36.2	-174.3	-58.7	78.6	-174.4	0	0	112	L200 V248 S250 G251 R255 Y256 W273	L200-E253 HydrophobicContact CD1-CB 4.04Å; L200-E253 HydrophobicContact CD1-CG 4.39Å; L200-E253 HydrophobicContact CD2-CG 4.29Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; S250-E253 WeakPolarHBondContact CA-OE1 3.33Å; G251-E253 WeakPolarHBondContact CA-OE2 3.27Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 3.39Å; G251-E253 PolarHBondContact N-OE2 3.38Å; E253-R255 PolarHBondContact O-N 2.81Å; E253-Y256 PolarHBondContact O-N 3.19Å; E253-Y256 VanDerWaalsContact O-N 3.15Å; E253-W273 HydrophobicContact CB-CD2 4.24Å; E253-W273 HydrophobicContact CB-CE3 3.48Å; E253-W273 VanDerWaalsContact CB-CE3 3.48Å; E253-W273 HydrophobicContact CB-CZ3 3.96Å; E253-W273 HydrophobicContact CG-CE3 3.93Å; E253-W273 HydrophobicContact CG-CZ3 4.05Å
254	Q	91.8	Very high	94.2	Very high	95 Å²	95	41.7 Å²	41.7	44%	0.444	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-68.1	-19	-179.5	-64.8	-58	-41.4	0	0	114.4	Q252 W273	Q252-Q254 PolarHBondContact O-N 2.84Å; Q252-Q254 VanDerWaalsContact O-N 3.1Å; Q254-W273 PolarHBondContact NE2-O 3.43Å
255	R	94.3	Very high	94.3	Very high	106 Å²	106	42.8 Å²	42.8	40%	0.4	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-77	-16.2	175.7	-63.2	175.5	67	-175.3	7	112.2	R218 D219 Q252 E253	R218-R255 WeakPolarHBondContact CA-O 3.38Å; R218-R255 HydrophobicContact CG-CB 4.32Å; D219-R255 PolarHBondContact N-O 3.13Å; D219-R255 WeakPolarHBondContact OD1-CB 3.42Å; D219-R255 IonicContact OD1-NE 2.79Å; D219-R255 PolarHBondContact OD1-NE 2.69Å; D219-R255 IonicContact OD2-CZ 3.19Å; D219-R255 IonicContact OD2-NE 2.71Å; D219-R255 PolarHBondContact OD2-NE 3.36Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 2.71Å; Q252-R255 WeakPolarHBondContact O-CB 3.36Å; Q252-R255 PolarHBondContact O-N 3.44Å; E253-R255 PolarHBondContact O-N 2.81Å
256	Y	94.8	Very high	94.3	Very high	7 Å²	7	48.9 Å²	48.9	3%	0.027	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130.4	-177.1	-69.2	-102.7	0	0	0	110.8	Q217 R218 Q223 V246 V248 Q252 E253	Q217-Y256 CarbonylContact O-C 3.54Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.47Å; R218-Y256 HydrophobicContact CB-CD1 4.15Å; R218-Y256 HydrophobicContact CB-CE1 4.01Å; R218-Y256 HydrophobicContact CG-CD2 4.46Å; R218-Y256 HydrophobicContact CG-CE1 4.25Å; R218-Y256 HydrophobicContact CG-CE2 4.13Å; Q223-Y256 HydrophobicContact CG-CE1 4.38Å; V246-Y256 HydrophobicContact CG1-CD1 4.03Å; V246-Y256 HydrophobicContact CG1-CE1 4.47Å; V246-Y256 HydrophobicContact CG2-CD1 4.24Å; V246-Y256 HydrophobicContact CG2-CE1 3.94Å; V248-Y256 HydrophobicContact CB-CD2 4.06Å; V248-Y256 HydrophobicContact CB-CE2 3.79Å; V248-Y256 HydrophobicContact CG1-CD1 3.73Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.71Å; V248-Y256 HydrophobicContact CG1-CE2 3.6Å; V248-Y256 HydrophobicContact CG1-CG 3.66Å; Q252-Y256 HydrophobicContact CB-CE2 4.46Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.32Å; E253-Y256 PolarHBondContact O-N 3.19Å; E253-Y256 VanDerWaalsContact O-N 3.15Å
257	T	96.3	Very high	94.3	Very high	11 Å²	11	56.5 Å²	56.5	7%	0.067	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.3	176.2	46.2	0	0	0	0	110.6	W216 Q217 H259 T270 L271 R272	W216-T257 WeakPolarHBondContact CA-O 3.05Å; W216-T257 VanDerWaalsContact CE3-C 3.41Å; W216-T257 VanDerWaalsContact CE3-O 3.27Å; Q217-T257 PolarHBondContact N-O 3.09Å; Q217-T257 PolarHBondContact O-N 3.07Å; T257-H259 PolarHBondContact OG1-NE2 3.45Å; T257-T270 HydrophobicContact CG2-CG2 3.9Å; T257-L271 CarbonylContact C-O 3.54Å; T257-L271 WeakPolarHBondContact CA-O 3.25Å; T257-R272 HydrophobicContact CG2-CG 3.53Å; T257-R272 VanDerWaalsContact CG2-NE 3.34Å
258	C	96.3	Very high	94.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.8	170.4	174.7	0	0	0	0	109.8	M188 C202 T215 W216 T270 L271	M188-C258 HydrophobicContact CE-CB 3.8Å; C202-C258 HydrophobicContact CB-CB 3.51Å; C202-C258 WeakPolarHBondContact CB-SG 3.29Å; C202-C258 WeakPolarHBondContact SG-CB 3.34Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.35Å; T215-C258 CarbonylContact O-C 3.5Å; T215-C258 WeakPolarHBondContact O-CA 3.04Å; W216-C258 HydrophobicContact CD2-CB 4.3Å; W216-C258 HydrophobicContact CE3-CB 4.16Å; W216-C258 HydrophobicContact CH2-CB 4.29Å; W216-C258 HydrophobicContact CZ2-CB 4.34Å; W216-C258 HydrophobicContact CZ3-CB 4.15Å; C258-T270 CarbonylContact O-C 3.55Å; C258-T270 WeakPolarHBondContact O-CA 3.38Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 3.49Å; C258-L271 PolarHBondContact O-N 3.39Å
259	H	96.2	Very high	94.6	Very high	33 Å²	33	60 Å²	60	15%	0.153	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.1	178	-64	-103.3	0	0	0	109.8	L214 T215 Q217 T257 L269 T270	L214-H259 WeakPolarHBondContact CA-O 3.49Å; T215-H259 PolarHBondContact N-O 3.31Å; T215-H259 PolarHBondContact O-N 2.99Å; T215-H259 WeakPolarHBondContact OG1-CB 3.02Å; Q217-H259 PolarHBondContact OE1-CE1 3.33Å; Q217-H259 PolarHBondContact OE1-NE2 3.47Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.14Å; T257-H259 PolarHBondContact OG1-NE2 3.45Å; H259-L269 WeakPolarHBondContact CA-O 3.5Å; H259-T270 PolarHBondContact ND1-OG1 2.82Å
260	V	97.3	Very high	94.8	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.8	-178	-173.9	0	0	0	0	109	P184 T186 I212 T213 L214 L265 P268 L269 L271	P184-V260 HydrophobicContact CG-CG1 4.01Å; T186-V260 HydrophobicContact CG2-CG1 4.34Å; T186-V260 HydrophobicContact CG2-CG2 4.17Å; I212-V260 HydrophobicContact CD1-CG1 4.02Å; I212-V260 HydrophobicContact CG1-CG1 4.37Å; T213-V260 WeakPolarHBondContact O-CA 3.48Å; L214-V260 HydrophobicContact CD1-CG1 3.99Å; L214-V260 HydrophobicContact CG-CG2 4.3Å; V260-L265 HydrophobicContact CG1-CD1 4.15Å; V260-P268 WeakPolarHBondContact O-CA 3.12Å; V260-L269 HydrophobicContact CB-CB 4.31Å; V260-L269 PolarHBondContact N-O 3.43Å; V260-L269 PolarHBondContact O-N 3.49Å; V260-L271 HydrophobicContact CG2-CD1 4.03Å
261	Q	97.8	Very high	95.1	Very high	103 Å²	103	60.6 Å²	60.6	48%	0.481	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.4	173.4	-52.5	-179	24.4	0	0	109.1	I212 T213 P268	I212-Q261 WeakPolarHBondContact CG1-O 3.27Å; T213-Q261 PolarHBondContact N-O 3.42Å; T213-Q261 PolarHBondContact O-N 2.91Å; Q261-P268 HydrophobicContact CG-CB 4.09Å; Q261-P268 HydrophobicContact CG-CG 4.18Å
262	H	97.5	Very high	95.4	Very high	16 Å²	16	64.9 Å²	64.9	7%	0.074	32%	0.323	C	S	.	.			trans	-153.9	146	-179.3	-173.3	-100.9	0	0	0	108.5	D182 P184 F207 Y208 P209 E211 I212 G264 L265	D182-H262 PolarHBondContact O-CE1 3.27Å; D182-H262 VanDerWaalsContact O-CE1 3.28Å; P184-H262 HydrophobicContact CG-CB 4.13Å; F207-H262 AromaticContact CD2-CD2 3.87Å; F207-H262 AromaticContact CD2-NE2 3.64Å; Y208-H262 PolarHBondContact O-CE1 2.83Å; P209-H262 PolarHBondContact O-NE2 3.17Å; E211-H262 PolarHBondContact O-CD2 2.72Å; I212-H262 HydrophobicContact CD1-CB 4.21Å; I212-H262 HydrophobicContact CG1-CB 4Å; H262-G264 WeakPolarHBondContact ND1-CA 3.22Å; H262-G264 PolarHBondContact ND1-N 2.85Å; H262-G264 PolarHBondContact O-N 2.9Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.48Å; H262-L265 PolarHBondContact O-N 3.26Å
263	E	94.8	Very high	95.3	Very high	153 Å²	153	64.1 Å²	64.1	72%	0.715	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.1	-179.7	-173.4	175.2	157.8	0	0	112.7	T181 L265	T181-E263 HydrophobicContact CG2-CB 4.01Å; T181-E263 HydrophobicContact CG2-CG 4.11Å; E263-L265 PolarHBondContact O-N 3.15Å
264	G	94.5	Very high	94.9	Very high	20 Å²	20	71 Å²	71	21%	0.206	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-8.2	178	0	0	0	0	0	113.8	A183 H262	A183-G264 WeakPolarHBondContact CB-O 3.46Å; H262-G264 WeakPolarHBondContact ND1-CA 3.22Å; H262-G264 PolarHBondContact ND1-N 2.85Å; H262-G264 PolarHBondContact O-N 2.9Å
265	L	96.9	Very high	94.2	Very high	25 Å²	25	70.4 Å²	70.4	13%	0.131	35%	0.353	C	S	.	.			trans	-98.3	126.1	177.5	-64.4	170.3	0	0	0	110	A183 P184 V260 H262 E263 K267 L269	A183-L265 HydrophobicContact CB-CD2 4Å; P184-L265 HydrophobicContact CG-CD1 3.87Å; P184-L265 HydrophobicContact CG-CD2 4.4Å; P184-L265 HydrophobicContact CG-CG 4.19Å; V260-L265 HydrophobicContact CG1-CD1 4.15Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.48Å; H262-L265 PolarHBondContact O-N 3.26Å; E263-L265 PolarHBondContact O-N 3.15Å; L265-K267 WeakPolarHBondContact CB-O 3.4Å; L265-K267 PolarHBondContact O-N 2.98Å; L265-L269 HydrophobicContact CD1-CB 4.42Å; L265-L269 HydrophobicContact CD1-CD1 3.85Å; L265-L269 HydrophobicContact CD1-CG 3.81Å; L265-L269 HydrophobicContact CD2-CD1 3.56Å; L265-L269 HydrophobicContact CD2-CG 3.87Å; L265-L269 HydrophobicContact CG-CD1 4.37Å; L265-L269 HydrophobicContact CG-CG 4.42Å
266	P	95.4	Very high	92.6	Very high	131 Å²	131	70.3 Å²	70.3	85%	0.851	37%	0.369	S	S	*	.	S	Bend	trans	-65.1	-24.3	177.2	27.1	-34.8	0	0	0	112.4
267	K	96.1	Very high	90.4	Very high	163 Å²	163	75.5 Å²	75.5	71%	0.709	41%	0.406	S	S	*	.	S	Bend	trans	-146.3	150.5	173.6	-64.5	-175.9	-177.9	178.4	0	109.2	L265 L269	L265-K267 WeakPolarHBondContact CB-O 3.4Å; L265-K267 PolarHBondContact O-N 2.98Å; K267-L269 PolarHBondContact O-N 3.4Å
268	P	96.5	Very high	87.9	Confident	83 Å²	83	82.7 Å²	82.7	54%	0.539	44%	0.439	S	S	.	.			trans	-51.2	137.3	172.1	-28	36.2	0	0	0	112.1	V260 Q261	V260-P268 WeakPolarHBondContact O-CA 3.12Å; Q261-P268 HydrophobicContact CG-CB 4.09Å; Q261-P268 HydrophobicContact CG-CG 4.18Å
269	L	96.8	Very high	85.4	Confident	62 Å²	62	87.8 Å²	87.8	33%	0.325	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	143.5	174	-66.8	176.7	0	0	0	110	T186 H259 V260 L265 K267	T186-L269 HydrophobicContact CG2-CD1 4.45Å; H259-L269 WeakPolarHBondContact CA-O 3.5Å; V260-L269 HydrophobicContact CB-CB 4.31Å; V260-L269 PolarHBondContact N-O 3.43Å; V260-L269 PolarHBondContact O-N 3.49Å; L265-L269 HydrophobicContact CD1-CB 4.42Å; L265-L269 HydrophobicContact CD1-CD1 3.85Å; L265-L269 HydrophobicContact CD1-CG 3.81Å; L265-L269 HydrophobicContact CD2-CD1 3.56Å; L265-L269 HydrophobicContact CD2-CG 3.87Å; L265-L269 HydrophobicContact CG-CD1 4.37Å; L265-L269 HydrophobicContact CG-CG 4.42Å; K267-L269 PolarHBondContact O-N 3.4Å
270	T	96.6	Very high	83.2	Confident	79 Å²	79	92.6 Å²	92.6	49%	0.485	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118.6	171.2	-56.6	0	0	0	0	108.1	T257 C258 H259	T257-T270 HydrophobicContact CG2-CG2 3.9Å; C258-T270 CarbonylContact O-C 3.55Å; C258-T270 WeakPolarHBondContact O-CA 3.38Å; H259-T270 PolarHBondContact ND1-OG1 2.82Å
271	L	95	Very high	81	Confident	36 Å²	36	97.6 Å²	97.6	19%	0.188	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.2	-177	-61	159	0	0	0	109.2	T186 M188 T257 C258 V260	T186-L271 HydrophobicContact CG2-CD1 4.08Å; M188-L271 HydrophobicContact CE-CB 4.26Å; M188-L271 HydrophobicContact CG-CB 4.33Å; M188-L271 HydrophobicContact SD-CB 3.81Å; T257-L271 CarbonylContact C-O 3.54Å; T257-L271 WeakPolarHBondContact CA-O 3.25Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 3.49Å; C258-L271 PolarHBondContact O-N 3.39Å; V260-L271 HydrophobicContact CG2-CD1 4.03Å
272	R	93.3	Very high	78.8	Confident	158 Å²	158	96.9 Å²	96.9	60%	0.596	53%	0.534	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	148	168.6	-74.1	-175.8	178.6	150.5	0.6	108.9	T257 E274	T257-R272 HydrophobicContact CG2-CG 3.53Å; T257-R272 VanDerWaalsContact CG2-NE 3.34Å; R272-E274 PolarHBondContact O-N 2.93Å
273	W	91.2	Very high	76.9	Confident	47 Å²	47	101.6 Å²	101.6	18%	0.178	56%	0.558	C	S	.	*			trans	-69	124.8	175.6	174.2	72	0	0	0	109.1	M188 H190 L200 E253 Q254 P275	M188-W273 HydrophobicContact SD-CB 4.25Å; M188-W273 PolarHBondContact SD-N 3.01Å; H190-W273 HydrophobicContact CB-CZ2 4.19Å; H190-W273 VanDerWaalsContact CB-NE1 3.28Å; L200-W273 HydrophobicContact CD1-CB 4.29Å; L200-W273 HydrophobicContact CD2-CB 4.02Å; L200-W273 HydrophobicContact CD2-CD2 4.35Å; L200-W273 HydrophobicContact CD2-CG 3.83Å; E253-W273 HydrophobicContact CB-CD2 4.24Å; E253-W273 HydrophobicContact CB-CE3 3.48Å; E253-W273 VanDerWaalsContact CB-CE3 3.48Å; E253-W273 HydrophobicContact CB-CZ3 3.96Å; E253-W273 HydrophobicContact CG-CE3 3.93Å; E253-W273 HydrophobicContact CG-CZ3 4.05Å; Q254-W273 PolarHBondContact NE2-O 3.43Å; W273-P275 HydrophobicContact CE3-CG 4.33Å; W273-P275 HydrophobicContact CH2-CB 3.88Å; W273-P275 HydrophobicContact CH2-CG 3.67Å; W273-P275 HydrophobicContact CZ2-CB 4.08Å; W273-P275 HydrophobicContact CZ2-CG 4.24Å; W273-P275 HydrophobicContact CZ3-CB 4.42Å; W273-P275 HydrophobicContact CZ3-CG 3.72Å
274	E	83.4	Confident	75	Confident	164 Å²	164	99.9 Å²	99.9	77%	0.766	56%	0.558	S	S	*	*			trans	-107.6	126.5	169.9	-75.5	-179	176.8	0	0	108.7	R272 S276	R272-E274 PolarHBondContact O-N 2.93Å; E274-S276 PolarHBondContact O-N 3.17Å
275	P	77.4	Confident	73.2	Confident	81 Å²	81	101 Å²	101	53%	0.526	57%	0.57	S	S	.	*			trans	-57.5	126.3	170.3	-13.5	23.2	0	0	0	108.3	W273 S277	W273-P275 HydrophobicContact CE3-CG 4.33Å; W273-P275 HydrophobicContact CH2-CB 3.88Å; W273-P275 HydrophobicContact CH2-CG 3.67Å; W273-P275 HydrophobicContact CZ2-CB 4.08Å; W273-P275 HydrophobicContact CZ2-CG 4.24Å; W273-P275 HydrophobicContact CZ3-CB 4.42Å; W273-P275 HydrophobicContact CZ3-CG 3.72Å; P275-S277 PolarHBondContact O-N 2.97Å
276	S	61.4	Low	71.6	Confident	104 Å²	104	104.4 Å²	104.4	73%	0.727	59%	0.587	S	S	*	*			trans	-60.2	112.1	179	63	0	0	0	0	109.4	E274 Q278	E274-S276 PolarHBondContact O-N 3.17Å; S276-Q278 PolarHBondContact O-N 2.87Å
277	S	47.7	Very low	70.2	Confident	116 Å²	116	102.9 Å²	102.9	81%	0.811	57%	0.571	S	S	*	*			trans	-77.1	65.7	168	62.5	0	0	0	0	108.2	P275 P279	P275-S277 PolarHBondContact O-N 2.97Å; S277-P279 WeakPolarHBondContact O-CD 3.42Å
278	Q	44.5	Very low	68.8	Low	163 Å²	163	97.5 Å²	97.5	76%	0.762	56%	0.557	S	S	*	*			trans	-67.5	114.9	157.8	-82.5	-168.3	-22.4	0	0	105.7	S276 T280	S276-Q278 PolarHBondContact O-N 2.87Å; Q278-T280 PolarHBondContact O-N 3.33Å
279	P	42.4	Very low	67.6	Low	107 Å²	107	95.1 Å²	95.1	70%	0.695	55%	0.547	S	S	*	.			trans	-60.9	117.7	167.7	-4.1	19	0	0	0	104.6	S277 I281	S277-P279 WeakPolarHBondContact O-CD 3.42Å; P279-I281 PolarHBondContact O-N 3.09Å
280	T	50.8	Low	66.6	Low	134 Å²	134	97.8 Å²	97.8	82%	0.822	56%	0.561	S	S	*	*			trans	-64	84.5	159.8	-35.3	0	0	0	0	104.7	Q278 P282	Q278-T280 PolarHBondContact O-N 3.33Å; T280-P282 VanDerWaalsContact O-CD 3.24Å; T280-P282 WeakPolarHBondContact O-CD 3.45Å
281	I	51.3	Low	65.5	Low	105 Å²	105	98.7 Å²	98.7	54%	0.538	57%	0.566	S	S	.	*			trans	-53.1	118.1	167.7	-63.4	176	0	0	0	103.2	P279 I283 I286	P279-I281 PolarHBondContact O-N 3.09Å; I281-I283 PolarHBondContact O-N 3.43Å; I281-I286 HydrophobicContact CG2-CD1 3.78Å
282	P	52.2	Low	64.4	Low	87 Å²	87	102.6 Å²	102.6	57%	0.565	59%	0.587	S	S	*	*			trans	-72.9	84.4	-178.1	29.2	-31.5	0	0	0	106.2	T280 V284 G285 I286	T280-P282 VanDerWaalsContact O-CD 3.24Å; T280-P282 WeakPolarHBondContact O-CD 3.45Å; P282-V284 PolarHBondContact O-N 3.39Å; P282-G285 PolarHBondContact O-N 2.91Å; P282-I286 PolarHBondContact O-N 3.49Å
283	I	57.5	Low	63.4	Low	115 Å²	115	102.3 Å²	102.3	59%	0.59	59%	0.59	S	S	*	*	H	α-helix	trans	-53.2	-31.5	177.8	-66.2	171.7	0	0	0	109.1	I281 G285 I286 I287	I281-I283 PolarHBondContact O-N 3.43Å; I283-G285 PolarHBondContact O-N 3.39Å; I283-I286 PolarHBondContact O-N 3.44Å; I283-I287 HydrophobicContact CG2-CD1 3.76Å; I283-I287 HydrophobicContact CG2-CG1 4.39Å; I283-I287 VanDerWaalsContact O-CG1 3.28Å; I283-I287 WeakPolarHBondContact O-CG1 3.35Å; I283-I287 PolarHBondContact O-N 3.15Å
284	V	54.7	Low	62.5	Low	118 Å²	118	101.6 Å²	101.6	72%	0.715	60%	0.598	S	S	*	*	H	α-helix	trans	-61.7	-40.3	173.8	-174.5	0	0	0	0	112.9	P282 A288	P282-V284 PolarHBondContact O-N 3.39Å; V284-A288 WeakPolarHBondContact O-CB 2.91Å; V284-A288 PolarHBondContact O-N 3.26Å
285	G	56.6	Low	62.1	Low	43 Å²	43	96.6 Å²	96.6	44%	0.443	58%	0.584	S	S	.	*	H	α-helix	trans	-70	-36	179.8	0	0	0	0	0	113	P282 I283 G289	P282-G285 PolarHBondContact O-N 2.91Å; I283-G285 PolarHBondContact O-N 3.39Å; G285-G289 PolarHBondContact O-N 2.91Å
286	I	63.4	Low	62	Low	97 Å²	97	97.6 Å²	97.6	50%	0.497	59%	0.589	S	S	.	*	H	α-helix	trans	-70.9	-42.5	176.6	-61	175.4	0	0	0	110.5	I281 P282 I283 G289 L290	I281-I286 HydrophobicContact CG2-CD1 3.78Å; P282-I286 PolarHBondContact O-N 3.49Å; I283-I286 PolarHBondContact O-N 3.44Å; I286-G289 PolarHBondContact O-N 3.46Å; I286-L290 HydrophobicContact CG2-CD1 3.97Å; I286-L290 HydrophobicContact CG2-CG 4.5Å; I286-L290 WeakPolarHBondContact O-CB 3.39Å; I286-L290 WeakPolarHBondContact O-CG 3.44Å; I286-L290 PolarHBondContact O-N 3.25Å
287	I	65	Low	62.7	Low	99 Å²	99	97.5 Å²	97.5	51%	0.508	58%	0.579	S	S	.	*	H	α-helix	trans	-64.4	-46.4	176.7	-66.6	169.8	0	0	0	110.7	I283 G289 L290 V291	I283-I287 HydrophobicContact CG2-CD1 3.76Å; I283-I287 HydrophobicContact CG2-CG1 4.39Å; I283-I287 VanDerWaalsContact O-CG1 3.28Å; I283-I287 WeakPolarHBondContact O-CG1 3.35Å; I283-I287 PolarHBondContact O-N 3.15Å; I287-G289 VanDerWaalsContact C-N 3.33Å; I287-G289 PolarHBondContact O-N 2.93Å; I287-L290 PolarHBondContact O-N 3.07Å; I287-V291 HydrophobicContact CG2-CG2 4.33Å; I287-V291 VanDerWaalsContact O-CG2 3.28Å; I287-V291 WeakPolarHBondContact O-CG2 3.45Å; I287-V291 PolarHBondContact O-N 3.32Å
288	A	66.5	Low	63.8	Low	50 Å²	50	96.3 Å²	96.3	41%	0.413	57%	0.567	S	S	.	*	H	α-helix	trans	-61	-42	177.1	0	0	0	0	0	111.9	V284 V291 L292	V284-A288 WeakPolarHBondContact O-CB 2.91Å; V284-A288 PolarHBondContact O-N 3.26Å; A288-V291 PolarHBondContact O-N 3.12Å; A288-L292 WeakPolarHBondContact O-CB 3.37Å; A288-L292 WeakPolarHBondContact O-CG 3.38Å; A288-L292 PolarHBondContact O-N 3.35Å
289	G	71.2	Confident	65.1	Low	33 Å²	33	90.5 Å²	90.5	34%	0.34	55%	0.551	S	S	.	*	H	α-helix	trans	-61.4	-45.2	175.6	0	0	0	0	0	113	G285 I286 I287 L292 F293	G285-G289 PolarHBondContact O-N 2.91Å; I286-G289 PolarHBondContact O-N 3.46Å; I287-G289 VanDerWaalsContact C-N 3.33Å; I287-G289 PolarHBondContact O-N 2.93Å; G289-L292 PolarHBondContact O-N 3.06Å; G289-F293 WeakPolarHBondContact O-CB 3.35Å; G289-F293 PolarHBondContact O-N 2.92Å
290	L	76.2	Confident	66.6	Low	118 Å²	118	88.2 Å²	88.2	62%	0.618	54%	0.541	S	S	*	.	H	α-helix	trans	-67.4	-39.1	178.5	-75	169.8	0	0	0	112.8	I286 I287 F293 G294	I286-L290 HydrophobicContact CG2-CD1 3.97Å; I286-L290 HydrophobicContact CG2-CG 4.5Å; I286-L290 WeakPolarHBondContact O-CB 3.39Å; I286-L290 WeakPolarHBondContact O-CG 3.44Å; I286-L290 PolarHBondContact O-N 3.25Å; I287-L290 PolarHBondContact O-N 3.07Å; L290-F293 PolarHBondContact O-N 3.29Å; L290-G294 PolarHBondContact O-N 3.5Å
291	V	74.8	Confident	67.8	Low	97 Å²	97	85.9 Å²	85.9	59%	0.588	53%	0.527	S	S	*	.	H	α-helix	trans	-65.2	-43.6	176.4	171.6	0	0	0	0	110.7	I287 A288 G294 A295	I287-V291 HydrophobicContact CG2-CG2 4.33Å; I287-V291 VanDerWaalsContact O-CG2 3.28Å; I287-V291 WeakPolarHBondContact O-CG2 3.45Å; I287-V291 PolarHBondContact O-N 3.32Å; A288-V291 PolarHBondContact O-N 3.12Å; V291-G294 PolarHBondContact O-N 3.45Å; V291-A295 WeakPolarHBondContact O-CB 3.41Å; V291-A295 PolarHBondContact O-N 2.88Å
292	L	71.6	Confident	68.9	Low	119 Å²	119	84.7 Å²	84.7	62%	0.623	52%	0.524	S	S	*	.	H	α-helix	trans	-64.8	-44.7	176.4	-74.4	169	0	0	0	111.7	A288 G289 G294 A295 V296	A288-L292 WeakPolarHBondContact O-CB 3.37Å; A288-L292 WeakPolarHBondContact O-CG 3.38Å; A288-L292 PolarHBondContact O-N 3.35Å; G289-L292 PolarHBondContact O-N 3.06Å; L292-G294 PolarHBondContact O-N 3.02Å; L292-A295 PolarHBondContact O-N 2.8Å; L292-V296 WeakPolarHBondContact O-CG2 3.03Å; L292-V296 PolarHBondContact O-N 3.39Å
293	F	72.1	Confident	69.8	Low	151 Å²	151	83.3 Å²	83.3	66%	0.662	52%	0.52	S	S	*	.	H	α-helix	trans	-62	-43.8	176.2	-114	-88.6	0	0	0	112	G289 L290 V296 I297	G289-F293 WeakPolarHBondContact O-CB 3.35Å; G289-F293 PolarHBondContact O-N 2.92Å; L290-F293 PolarHBondContact O-N 3.29Å; F293-V296 PolarHBondContact O-N 3.33Å; F293-I297 HydrophobicContact CD1-CD1 4.45Å; F293-I297 WeakPolarHBondContact O-CG1 3.48Å; F293-I297 PolarHBondContact O-N 2.99Å
294	G	71.9	Confident	70.5	Confident	33 Å²	33	80.6 Å²	80.6	34%	0.34	52%	0.515	S	S	.	.	H	α-helix	trans	-59	-46.5	175	0	0	0	0	0	112	L290 V291 L292 V296 I297 T298	L290-G294 PolarHBondContact O-N 3.5Å; V291-G294 PolarHBondContact O-N 3.45Å; L292-G294 PolarHBondContact O-N 3.02Å; G294-V296 PolarHBondContact O-N 3.48Å; G294-I297 PolarHBondContact O-N 3.1Å; G294-T298 WeakPolarHBondContact O-CB 3.46Å; G294-T298 PolarHBondContact O-N 3.18Å; G294-T298 PolarHBondContact O-OG1 2.85Å
295	A	74.2	Confident	71.4	Confident	59 Å²	59	78.7 Å²	78.7	49%	0.488	50%	0.503	S	S	.	.	H	α-helix	trans	-62.5	-41.9	178.3	0	0	0	0	0	112.6	V291 L292 T298 G299	V291-A295 WeakPolarHBondContact O-CB 3.41Å; V291-A295 PolarHBondContact O-N 2.88Å; L292-A295 PolarHBondContact O-N 2.8Å; A295-T298 PolarHBondContact O-N 3.32Å; A295-G299 PolarHBondContact O-N 3.08Å
296	V	76.9	Confident	72.1	Confident	102 Å²	102	82.9 Å²	82.9	62%	0.618	51%	0.512	S	S	*	.	H	α-helix	trans	-64.8	-45.6	177.9	172	0	0	0	0	111.2	L292 F293 G294 G299 A300	L292-V296 WeakPolarHBondContact O-CG2 3.03Å; L292-V296 PolarHBondContact O-N 3.39Å; F293-V296 PolarHBondContact O-N 3.33Å; G294-V296 PolarHBondContact O-N 3.48Å; V296-G299 PolarHBondContact O-N 3.18Å; V296-A300 WeakPolarHBondContact O-CB 3.4Å; V296-A300 PolarHBondContact O-N 3.45Å
297	I	74.1	Confident	72.5	Confident	102 Å²	102	88 Å²	88	52%	0.523	53%	0.526	S	S	.	.	H	α-helix	trans	-64.5	-43.5	178.5	-68.8	-171.2	0	0	0	110.6	F293 G294 G299 A300 V301	F293-I297 HydrophobicContact CD1-CD1 4.45Å; F293-I297 WeakPolarHBondContact O-CG1 3.48Å; F293-I297 PolarHBondContact O-N 2.99Å; G294-I297 PolarHBondContact O-N 3.1Å; I297-G299 VanDerWaalsContact C-N 3.35Å; I297-G299 PolarHBondContact O-N 3.12Å; I297-A300 PolarHBondContact O-N 3.15Å; I297-V301 HydrophobicContact CG2-CG2 4.38Å; I297-V301 VanDerWaalsContact O-CG2 3.3Å; I297-V301 WeakPolarHBondContact O-CG2 3.48Å; I297-V301 PolarHBondContact O-N 3.05Å
298	T	71	Confident	72.5	Confident	90 Å²	90	92.7 Å²	92.7	55%	0.552	54%	0.537	S	S	*	.	H	α-helix	trans	-63.7	-43	178.8	-41.7	0	0	0	0	110.9	G294 A295 V301 V302	G294-T298 WeakPolarHBondContact O-CB 3.46Å; G294-T298 PolarHBondContact O-N 3.18Å; G294-T298 PolarHBondContact O-OG1 2.85Å; A295-T298 PolarHBondContact O-N 3.32Å; T298-V301 PolarHBondContact O-N 3.01Å; T298-V302 VanDerWaalsContact O-CG2 3.28Å; T298-V302 WeakPolarHBondContact O-CG2 3.36Å; T298-V302 PolarHBondContact O-N 3.19Å
299	G	72.6	Confident	72.1	Confident	42 Å²	42	99.5 Å²	99.5	43%	0.433	55%	0.552	S	S	.	*	H	α-helix	trans	-61.2	-43.2	174.5	0	0	0	0	0	113.1	A295 V296 I297 V302 A303	A295-G299 PolarHBondContact O-N 3.08Å; V296-G299 PolarHBondContact O-N 3.18Å; I297-G299 VanDerWaalsContact C-N 3.35Å; I297-G299 PolarHBondContact O-N 3.12Å; G299-V302 PolarHBondContact O-N 2.92Å; G299-A303 WeakPolarHBondContact O-CB 3.47Å; G299-A303 PolarHBondContact O-N 2.99Å
300	A	74.7	Confident	71.3	Confident	59 Å²	59	106.5 Å²	106.5	49%	0.488	57%	0.573	S	S	.	*	H	α-helix	trans	-65	-41.1	177.6	0	0	0	0	0	112.4	V296 I297 A303 A304	V296-A300 WeakPolarHBondContact O-CB 3.4Å; V296-A300 PolarHBondContact O-N 3.45Å; I297-A300 PolarHBondContact O-N 3.15Å; A300-A303 PolarHBondContact O-N 3.09Å; A300-A304 WeakPolarHBondContact O-CB 3.41Å; A300-A304 PolarHBondContact O-N 3.46Å
301	V	75.6	Confident	70.2	Confident	85 Å²	85	104.4 Å²	104.4	52%	0.515	57%	0.568	S	S	.	*	H	α-helix	trans	-65.3	-45.1	176.4	172.8	0	0	0	0	110.8	I297 T298 A303 A304 V305	I297-V301 HydrophobicContact CG2-CG2 4.38Å; I297-V301 VanDerWaalsContact O-CG2 3.3Å; I297-V301 WeakPolarHBondContact O-CG2 3.48Å; I297-V301 PolarHBondContact O-N 3.05Å; T298-V301 PolarHBondContact O-N 3.01Å; V301-A303 PolarHBondContact O-N 3.31Å; V301-A304 PolarHBondContact O-N 3.25Å; V301-V305 HydrophobicContact CG1-CG2 4.34Å; V301-V305 WeakPolarHBondContact O-CB 3.01Å; V301-V305 VanDerWaalsContact O-CG2 3.28Å; V301-V305 WeakPolarHBondContact O-CG2 3.23Å; V301-V305 PolarHBondContact O-N 2.78Å
302	V	74.1	Confident	69.2	Low	80 Å²	80	103.9 Å²	103.9	49%	0.485	57%	0.569	S	S	.	*	H	α-helix	trans	-61.6	-44.6	176.9	172.8	0	0	0	0	110.8	T298 G299 A304 V305 M306	T298-V302 VanDerWaalsContact O-CG2 3.28Å; T298-V302 WeakPolarHBondContact O-CG2 3.36Å; T298-V302 PolarHBondContact O-N 3.19Å; G299-V302 PolarHBondContact O-N 2.92Å; V302-A304 PolarHBondContact O-N 3.44Å; V302-V305 PolarHBondContact O-N 3.39Å; V302-M306 HydrophobicContact CG1-CG 4.49Å; V302-M306 HydrophobicContact CG1-SD 4.19Å; V302-M306 WeakPolarHBondContact O-CB 3.34Å; V302-M306 WeakPolarHBondContact O-CG 3.44Å; V302-M306 PolarHBondContact O-N 3.02Å
303	A	71.5	Confident	68.1	Low	58 Å²	58	105.6 Å²	105.6	48%	0.479	58%	0.579	S	S	.	*	H	α-helix	trans	-61.6	-43.1	176.2	0	0	0	0	0	112.3	G299 A300 V301 M306 W307	G299-A303 WeakPolarHBondContact O-CB 3.47Å; G299-A303 PolarHBondContact O-N 2.99Å; A300-A303 PolarHBondContact O-N 3.09Å; V301-A303 PolarHBondContact O-N 3.31Å; A303-M306 PolarHBondContact O-N 2.96Å; A303-W307 WeakPolarHBondContact O-CB 3.23Å; A303-W307 PolarHBondContact O-N 2.94Å
304	A	72.4	Confident	66.9	Low	58 Å²	58	109.2 Å²	109.2	48%	0.479	59%	0.588	S	S	.	*	H	α-helix	trans	-65.6	-39.6	177.2	0	0	0	0	0	112.6	A300 V301 V302 W307 R308	A300-A304 WeakPolarHBondContact O-CB 3.41Å; A300-A304 PolarHBondContact O-N 3.46Å; V301-A304 PolarHBondContact O-N 3.25Å; V302-A304 PolarHBondContact O-N 3.44Å; A304-W307 PolarHBondContact O-N 3.36Å; A304-R308 PolarHBondContact O-N 2.88Å
305	V	72.1	Confident	65.3	Low	77 Å²	77	117.6 Å²	117.6	47%	0.467	62%	0.615	S	S	.	*	H	α-helix	trans	-67.4	-41.9	176.1	170.8	0	0	0	0	111	V301 V302 W307 R308 R309	V301-V305 HydrophobicContact CG1-CG2 4.34Å; V301-V305 WeakPolarHBondContact O-CB 3.01Å; V301-V305 VanDerWaalsContact O-CG2 3.28Å; V301-V305 WeakPolarHBondContact O-CG2 3.23Å; V301-V305 PolarHBondContact O-N 2.78Å; V302-V305 PolarHBondContact O-N 3.39Å; V305-W307 VanDerWaalsContact C-N 3.35Å; V305-R308 PolarHBondContact O-N 2.78Å; V305-R309 PolarHBondContact O-N 2.77Å
306	M	72.2	Confident	63.4	Low	131 Å²	131	118.5 Å²	118.5	65%	0.645	63%	0.631	S	S	*	*	H	α-helix	trans	-63.9	-39.6	174.4	-74	-175.8	68.4	0	0	111.9	V302 A303 R309 K310	V302-M306 HydrophobicContact CG1-CG 4.49Å; V302-M306 HydrophobicContact CG1-SD 4.19Å; V302-M306 WeakPolarHBondContact O-CB 3.34Å; V302-M306 WeakPolarHBondContact O-CG 3.44Å; V302-M306 PolarHBondContact O-N 3.02Å; A303-M306 PolarHBondContact O-N 2.96Å; M306-R309 PolarHBondContact O-N 3.26Å; M306-K310 WeakPolarHBondContact O-CB 3.17Å; M306-K310 PolarHBondContact O-N 3.22Å
307	W	70.8	Confident	61.3	Low	206 Å²	206	117.5 Å²	117.5	78%	0.78	64%	0.641	S	S	*	*	H	α-helix	trans	-63.2	-45.7	173.8	-161.1	-46.3	0	0	0	111.1	A303 A304 V305 R309 K310 S311	A303-W307 WeakPolarHBondContact O-CB 3.23Å; A303-W307 PolarHBondContact O-N 2.94Å; A304-W307 PolarHBondContact O-N 3.36Å; V305-W307 VanDerWaalsContact C-N 3.35Å; W307-R309 PolarHBondContact O-N 3Å; W307-K310 PolarHBondContact O-N 2.76Å; W307-S311 PolarHBondContact O-N 2.89Å; W307-S311 PolarHBondContact O-OG 3.36Å
308	R	65.3	Low	59.2	Low	197 Å²	197	117.4 Å²	117.4	74%	0.743	65%	0.649	S	S	*	*	H	α-helix	trans	-60.1	-45.8	176.3	-91.5	-172.1	179	175.9	1.4	112.2	A304 V305 K310 S311 S312	A304-R308 PolarHBondContact O-N 2.88Å; V305-R308 PolarHBondContact O-N 2.78Å; R308-K310 VanDerWaalsContact C-N 3.32Å; R308-K310 PolarHBondContact O-N 3.31Å; R308-S311 WeakPolarHBondContact CA-OG 3.47Å; R308-S311 PolarHBondContact O-N 2.96Å; R308-S311 VanDerWaalsContact O-N 3.13Å; R308-S311 PolarHBondContact O-OG 3.29Å; R308-S312 PolarHBondContact O-N 2.95Å; R308-S312 PolarHBondContact O-OG 3.04Å
309	R	59.5	Low	57.4	Low	192 Å²	192	123.9 Å²	123.9	73%	0.725	67%	0.665	S	S	*	*	H	α-helix	trans	-61.1	-37.9	175.7	-90.6	-174.5	164.5	179.6	-3.5	112.7	V305 M306 W307 S311 S312	V305-R309 PolarHBondContact O-N 2.77Å; M306-R309 PolarHBondContact O-N 3.26Å; W307-R309 PolarHBondContact O-N 3Å; R309-S311 VanDerWaalsContact C-N 3.32Å; R309-S311 PolarHBondContact O-N 3.15Å; R309-S312 PolarHBondContact O-OG 3.5Å
310	K	53.7	Low	55.5	Low	180 Å²	180	126.8 Å²	126.8	78%	0.783	68%	0.679	S	S	*	*	H	α-helix	trans	-71.8	-25.5	176.1	-165.4	173.7	-179.9	179.5	0	113	M306 W307 R308	M306-K310 WeakPolarHBondContact O-CB 3.17Å; M306-K310 PolarHBondContact O-N 3.22Å; W307-K310 PolarHBondContact O-N 2.76Å; R308-K310 VanDerWaalsContact C-N 3.32Å; R308-K310 PolarHBondContact O-N 3.31Å
311	S	53.9	Low	53.6	Low	74 Å²	74	133 Å²	133	52%	0.517	70%	0.698	S	S	.	*	H	α-helix	trans	-86.5	-22.6	177.2	67.3	0	0	0	0	114.5	W307 R308 R309	W307-S311 PolarHBondContact O-N 2.89Å; W307-S311 PolarHBondContact O-OG 3.36Å; R308-S311 WeakPolarHBondContact CA-OG 3.47Å; R308-S311 PolarHBondContact O-N 2.96Å; R308-S311 VanDerWaalsContact O-N 3.13Å; R308-S311 PolarHBondContact O-OG 3.29Å; R309-S311 VanDerWaalsContact C-N 3.32Å; R309-S311 PolarHBondContact O-N 3.15Å
312	S	53.5	Low	51.7	Low	86 Å²	86	133.3 Å²	133.3	60%	0.601	71%	0.709	S	S	*	*	H	α-helix	trans	-80.4	-16.2	178.4	54.4	0	0	0	0	114.1	R308 R309 R314	R308-S312 PolarHBondContact O-N 2.95Å; R308-S312 PolarHBondContact O-OG 3.04Å; R309-S312 PolarHBondContact O-OG 3.5Å; S312-R314 VanDerWaalsContact C-N 3.27Å; S312-R314 PolarHBondContact O-N 3.18Å
313	D	47.2	Very low	49.8	Very low	156 Å²	156	133.8 Å²	133.8	83%	0.834	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	7.8	179.3	-112.6	0.7	0	0	0	114.2
314	R	47.4	Very low	48	Very low	227 Å²	227	136.3 Å²	136.3	86%	0.857	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128	19.5	-172.4	-147.1	-174.8	170.4	141.8	-1	117.2	S312	S312-R314 VanDerWaalsContact C-N 3.27Å; S312-R314 PolarHBondContact O-N 3.18Å
315	K	38	Very low	46.3	Very low	208 Å²	208	139 Å²	139	90%	0.904	75%	0.752	S	S	*	*			trans	-152.4	96.9	168.4	-107.7	171.9	-171.8	-175.8	0	112.6
316	G	35	Very low	44.6	Very low	79 Å²	79	142.6 Å²	142.6	81%	0.814	77%	0.768	S	S	*	*			trans	-96.1	152.2	161.6	0	0	0	0	0	112.2
317	G	32	Very low	43	Very low	81 Å²	81	142.5 Å²	142.5	84%	0.835	78%	0.78	S	S	*	*			trans	81	143.6	168.3	0	0	0	0	0	115.4
318	S	31.4	Very low	41.5	Very low	100 Å²	100	137.2 Å²	137.2	70%	0.699	78%	0.78	S	S	*	*			cis	176.2	135.4	13.1	144.8	0	0	0	0	109
319	Y	32.9	Very low	40.3	Very low	226 Å²	226	137.6 Å²	137.6	89%	0.886	79%	0.791	S	S	*	*			trans	62	149.6	153.3	-72.1	-108.2	0	0	0	118.9
320	S	33.5	Very low	39	Very low	103 Å²	103	132.2 Å²	132.2	72%	0.72	80%	0.795	S	S	*	*			cis	-168.1	143.2	15.1	31.1	0	0	0	0	112.6
321	Q	33.7	Very low	38.2	Very low	188 Å²	188	128.8 Å²	128.8	88%	0.879	79%	0.793	S	S	*	*			trans	38.5	127.9	131.9	-151.6	165.7	9.1	0	0	125.9
322	A	34.7	Very low	37.6	Very low	92 Å²	92	132.4 Å²	132.4	76%	0.76	81%	0.807	S	S	*	*			trans	69.3	147.9	146.2	0	0	0	0	0	120.4
323	A	34.8	Very low	36.8	Very low	91 Å²	91	134.9 Å²	134.9	75%	0.752	82%	0.818	S	S	*	*			cis	-158.7	156.9	21.9	0	0	0	0	0	113.9
324	S	34.1	Very low	36.4	Very low	111 Å²	111	132.4 Å²	132.4	78%	0.776	81%	0.813	S	S	*	*			trans	52.4	121.1	132.6	-174.1	0	0	0	0	122.4
325	S	35.7	Very low	36.1	Very low	115 Å²	115	129.9 Å²	129.9	80%	0.804	82%	0.816	S	S	*	*				-178.1	141.5	96.9	60.4	0	0	0	0	113.6
326	D	36.8	Very low	36.3	Very low	152 Å²	152	125.9 Å²	125.9	81%	0.813	81%	0.809	S	S	*	*			trans	-55.7	158.3	179.9	-71.3	-53.3	0	0	0	117.4
327	S	39.6	Very low	36.5	Very low	128 Å²	128	127 Å²	127	90%	0.895	81%	0.81	S	S	*	*				-172.5	120.4	126.6	-71	0	0	0	0	110.1
328	A	39.8	Very low	36.7	Very low	95 Å²	95	129 Å²	129	79%	0.785	81%	0.81	S	S	*	*			trans	-108.7	144.1	172	0	0	0	0	0	110.1
329	Q	38.2	Very low	37.1	Very low	206 Å²	206	134.1 Å²	134.1	96%	0.963	82%	0.82	S	S	*	*			trans	164.9	142	136.4	-100.5	177.3	-23.5	0	0	111.4
330	G	33.3	Very low	37.9	Very low	79 Å²	79	133.3 Å²	133.3	81%	0.814	84%	0.838	S	S	*	*			trans	150.8	101.5	159.6	0	0	0	0	0	114.3
331	S	37.9	Very low	38.2	Very low	107 Å²	107	134.8 Å²	134.8	75%	0.748	84%	0.844	S	S	*	*			trans	-86.3	161	-168.4	-28.4	0	0	0	0	115
332	D	39.9	Very low	38.4	Very low	151 Å²	151	132 Å²	132	81%	0.807	84%	0.842	S	S	*	*			trans	44.6	131.4	143.4	-62.1	-33.3	0	0	0	122.2
333	V	37.3	Very low	38.6	Very low	138 Å²	138	134.2 Å²	134.2	84%	0.836	85%	0.846	S	S	*	*				172	137.2	101.6	159.8	0	0	0	0	110.6
334	S	38.8	Very low	38.8	Very low	103 Å²	103	136.8 Å²	136.8	72%	0.72	85%	0.852	S	S	*	*			trans	-60	159.8	178.6	-39.6	0	0	0	0	116.2
335	L	41.7	Very low	39.1	Very low	175 Å²	175	138.4 Å²	138.4	92%	0.916	86%	0.857	S	S	*	*				-173.8	139.8	121	-98.5	164.6	0	0	0	113.2
336	T	41.5	Very low	39.4	Very low	124 Å²	124	139.9 Å²	139.9	76%	0.761	86%	0.86	S	S	*	*			trans	-84.6	153.4	-178	-35.5	0	0	0	0	111.6
337	A	39	Very low	39.5	Very low	101 Å²	101	139.1 Å²	139.1	84%	0.835	86%	0.863	S	S	*	*			trans	-170.7	134.7	133.1	0	0	0	0	0	114.5
338	C	36.9	Very low	39.5	Very low	125 Å²	125	139.9 Å²	139.9	85%	0.845	86%	0.861	S	S	*	*			trans	-45.7	156.4	178.6	-66.3	0	0	0	0	119.5
339	K	38.6	Very low	39.5	Very low	206 Å²	206	143.7 Å²	143.7	90%	0.896	87%	0.867	S	S	*	*			trans	-120.8	123.9	155.7	-150.3	174.2	-170.5	175.5	0	107.5
340	V	51.1	Low	39.6	Very low	209 Å²	209	138 Å²	138	100%	1.267	86%	0.859	S	S	*	*			trans	-105	0	155.9	175.9	0	0	0	0	106

Retrieved 340 of 340 residues in 1628.2 ms (Link to these results)

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