A0A060VG42_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VG42, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 339 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	92.8	Very high	97.9	Very high	92 Å²	92	36.5 Å²	36.5	64%	0.643	20%	0.199	S	C	*	.				0	156.7	0	-59.2	0	0	0	0	107.9	V102	S1-V102 WeakPolarHBondContact CB-O 3.45Å
2	H	96.6	Very high	97.8	Very high	46 Å²	46	34.9 Å²	34.9	21%	0.213	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	161.9	-173.6	-62.7	-72.1	0	0	0	112	D28 D101 V102 L167 L171	H2-D28 VanDerWaalsContact CA-OD1 3.3Å; H2-D28 WeakPolarHBondContact CA-OD1 3.43Å; H2-D28 IonicContact CE1-OD2 3.03Å; H2-D28 IonicContact CG-OD2 2.79Å; H2-D28 IonicContact ND1-OD2 3.49Å; H2-D28 PolarHBondContact ND1-OD2 3.22Å; H2-D101 CarbonylContact O-C 3.6Å; H2-D101 WeakPolarHBondContact O-CA 3.43Å; H2-V102 HydrophobicContact CB-CG2 3.96Å; H2-V102 PolarHBondContact N-O 2.92Å; H2-V102 VanDerWaalsContact N-O 3.08Å; H2-V102 PolarHBondContact O-N 3.31Å; H2-L167 HydrophobicContact CB-CD1 4.36Å; H2-L171 HydrophobicContact CB-CD1 3.64Å; H2-L171 HydrophobicContact CB-CD2 3.95Å; H2-L171 HydrophobicContact CB-CG 4.38Å; H2-L171 VanDerWaalsContact CG-CD2 3.49Å
3	S	97.8	Very high	97.6	Very high	20 Å²	20	37.4 Å²	37.4	14%	0.14	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	148.8	-176	62.4	0	0	0	0	111.2	V27 D28 C100 D101	S3-V27 CarbonylContact O-C 3.58Å; S3-V27 WeakPolarHBondContact O-CA 3.46Å; S3-D28 PolarHBondContact N-OD1 3.2Å; S3-D28 PolarHBondContact O-N 3.38Å; S3-D28 PolarHBondContact OG-OD1 2.73Å; S3-C100 WeakPolarHBondContact CA-O 3.34Å; S3-D101 WeakPolarHBondContact CB-OD1 3.37Å
4	M	98.6	Very high	97.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.2	166.9	-176.8	175.4	63.2	0	0	108.5	Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170	M4-Y6 HydrophobicContact CE-CE2 4.05Å; M4-Y6 HydrophobicContact CG-CD2 4.49Å; M4-Y6 HydrophobicContact CG-CE2 4.05Å; M4-Y6 HydrophobicContact SD-CE2 3.91Å; M4-Y26 WeakPolarHBondContact CA-O 3.38Å; M4-V27 HydrophobicContact CG-CG2 4.27Å; M4-F32 HydrophobicContact CG-CE1 4.31Å; M4-F32 HydrophobicContact CG-CZ 4.45Å; M4-F32 HydrophobicContact SD-CZ 4.17Å; M4-G99 CarbonylContact O-C 3.59Å; M4-G99 WeakPolarHBondContact O-CA 3.16Å; M4-C100 PolarHBondContact N-O 2.8Å; M4-C100 PolarHBondContact O-N 2.7Å; M4-C163 HydrophobicContact CE-CB 4.15Å; M4-C163 VanDerWaalsContact CE-O 3.25Å; M4-C163 WeakPolarHBondContact CE-O 3.47Å; M4-C163 WeakPolarHBondContact CE-SG 3.41Å; M4-W166 HydrophobicContact CE-CB 4.01Å; M4-W166 HydrophobicContact SD-CB 4.29Å; M4-L167 HydrophobicContact CB-CB 4.03Å; M4-L167 HydrophobicContact CB-CD1 4.04Å; M4-L167 HydrophobicContact CB-CD2 4.13Å; M4-L167 HydrophobicContact CB-CG 4.28Å; M4-Y170 HydrophobicContact SD-CD2 3.73Å; M4-Y170 HydrophobicContact SD-CE2 3.52Å; M4-Y170 VanDerWaalsContact SD-CE2 3.52Å
5	R	98.6	Very high	96.7	Very high	52 Å²	52	41.7 Å²	41.7	20%	0.196	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.6	-174.8	-52.9	-62.4	-173.7	75.7	3.5	110.2	F7 Y26 D101 Y112	R5-F7 HydrophobicContact CB-CE2 3.71Å; R5-F7 HydrophobicContact CB-CZ 4.08Å; R5-Y26 PolarHBondContact N-O 3.18Å; R5-Y26 PolarHBondContact O-N 3.11Å; R5-D101 IonicContact CZ-OD1 3.97Å; R5-D101 VanDerWaalsContact CZ-OD1 3.24Å; R5-D101 IonicContact CZ-OD2 3.25Å; R5-D101 IonicContact NE-OD1 2.71Å; R5-D101 PolarHBondContact NE-OD1 2.91Å; R5-D101 IonicContact NH2-OD1 3.57Å; R5-D101 PolarHBondContact NH2-OD1 3.23Å; R5-D101 IonicContact NH2-OD2 2.73Å; R5-D101 PolarHBondContact NH2-OD2 3.07Å; R5-Y112 VanDerWaalsContact NH2-CE2 3.29Å; R5-Y112 PolarHBondContact NH2-OH 3.36Å
6	Y	98.8	Very high	96.3	Very high	5 Å²	5	52.5 Å²	52.5	2%	0.02	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.3	171.7	-71.6	-97.9	0	0	0	109.3	M4 Y8 V24 F32 V33 M97 Y98	M4-Y6 HydrophobicContact CE-CE2 4.05Å; M4-Y6 HydrophobicContact CG-CD2 4.49Å; M4-Y6 HydrophobicContact CG-CE2 4.05Å; M4-Y6 HydrophobicContact SD-CE2 3.91Å; Y6-Y8 HydrophobicContact CD1-CE1 4.37Å; Y6-V24 WeakPolarHBondContact CA-O 3.32Å; Y6-F32 HydrophobicContact CE1-CZ 4.3Å; Y6-F32 HydrophobicContact CE2-CZ 4.46Å; Y6-F32 AromaticContact CZ-CZ 3.9Å; Y6-V33 HydrophobicContact CE1-CG2 4.21Å; Y6-M97 WeakPolarHBondContact O-CA 3.43Å; Y6-Y98 AromaticContact CD2-CE2 3.78Å; Y6-Y98 HydrophobicContact CD2-CE2 3.78Å; Y6-Y98 AromaticContact CD2-CZ 3.88Å; Y6-Y98 HydrophobicContact CG-CE1 4.31Å; Y6-Y98 HydrophobicContact CG-CE2 4.13Å; Y6-Y98 AromaticContact CG-CZ 3.75Å; Y6-Y98 PolarHBondContact N-O 2.78Å; Y6-Y98 PolarHBondContact O-N 3.22Å
7	F	98.8	Very high	96	Very high	83 Å²	83	52.9 Å²	52.9	36%	0.364	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	121.3	176.9	-56.1	-99.4	0	0	0	109.1	R5 A23 V24 Y26 I96 M97	R5-F7 HydrophobicContact CB-CE2 3.71Å; R5-F7 HydrophobicContact CB-CZ 4.08Å; F7-A23 WeakPolarHBondContact O-CA 3.49Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.38Å; F7-V24 PolarHBondContact N-O 2.68Å; F7-V24 PolarHBondContact O-N 2.79Å; F7-Y26 HydrophobicContact CD2-CD2 4.19Å; F7-Y26 HydrophobicContact CE2-CD2 4.27Å; F7-I96 CarbonylContact C-O 3.58Å; F7-I96 WeakPolarHBondContact CA-O 3Å; F7-M97 HydrophobicContact CD1-CB 3.94Å; F7-M97 HydrophobicContact CD1-CG 3.62Å; F7-M97 HydrophobicContact CE1-CB 4.1Å; F7-M97 HydrophobicContact CE1-CG 3.35Å; F7-M97 HydrophobicContact CG-CG 4.45Å; F7-M97 HydrophobicContact CZ-CG 3.98Å
8	Y	98.8	Very high	95.9	Very high	9 Å²	9	55.9 Å²	55.9	4%	0.035	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	146.2	174.5	-54.5	-25.4	0	0	0	109.7	Y6 F21 I22 A23 V66 Q69 Q95 I96 Y98	Y6-Y8 HydrophobicContact CD1-CE1 4.37Å; Y8-F21 HydrophobicContact CD1-CZ 4.13Å; Y8-F21 HydrophobicContact CD2-CE2 4.44Å; Y8-F21 HydrophobicContact CD2-CZ 4.14Å; Y8-F21 HydrophobicContact CG-CE2 4.29Å; Y8-F21 AromaticContact CG-CZ 3.88Å; Y8-F21 HydrophobicContact CG-CZ 3.88Å; Y8-I22 CarbonylContact C-O 3.59Å; Y8-I22 WeakPolarHBondContact CA-O 3.37Å; Y8-A23 HydrophobicContact CD1-CB 3.26Å; Y8-A23 HydrophobicContact CE1-CB 3.41Å; Y8-A23 VanDerWaalsContact CE1-CB 3.41Å; Y8-A23 HydrophobicContact CG-CB 4.31Å; Y8-V66 HydrophobicContact CE1-CG1 4.32Å; Y8-Q69 HydrophobicContact CD2-CG 3.66Å; Y8-Q69 HydrophobicContact CE2-CB 4.26Å; Y8-Q69 HydrophobicContact CE2-CG 3.7Å; Y8-Q95 WeakPolarHBondContact O-CA 2.94Å; Y8-I96 PolarHBondContact N-O 2.95Å; Y8-I96 PolarHBondContact O-N 2.88Å; Y8-Y98 HydrophobicContact CD2-CE1 4.17Å; Y8-Y98 HydrophobicContact CE1-CE1 4.36Å; Y8-Y98 AromaticContact CE2-CE1 3.56Å; Y8-Y98 HydrophobicContact CE2-CE1 3.56Å; Y8-Y98 AromaticContact CZ-CE1 3.7Å; Y8-Y98 PolarHBondContact OH-OH 2.69Å
9	T	98.8	Very high	95.9	Very high	46 Å²	46	54.3 Å²	54.3	28%	0.282	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	124.8	177.9	-59.8	0	0	0	0	109.9	V11 I22 T93 I94 Q95	T9-V11 HydrophobicContact CG2-CG2 4.17Å; T9-I22 PolarHBondContact N-O 3.27Å; T9-I22 PolarHBondContact O-N 3.01Å; T9-T93 HydrophobicContact CG2-CG2 3.99Å; T9-I94 WeakPolarHBondContact CA-O 3.41Å; T9-Q95 HydrophobicContact CG2-CG 4.09Å
10	S	98.6	Very high	96	Very high	2 Å²	2	56 Å²	56	1%	0.014	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	112.6	-174.8	-74.6	0	0	0	0	110.6	R20 F21 D73 T93 I94	S10-R20 CarbonylContact C-O 3.59Å; S10-R20 VanDerWaalsContact CA-O 3.3Å; S10-R20 WeakPolarHBondContact CA-O 3.41Å; S10-F21 WeakPolarHBondContact OG-CD2 3.15Å; S10-D73 WeakPolarHBondContact CB-OD2 3.34Å; S10-D73 VanDerWaalsContact OG-CB 3.23Å; S10-D73 WeakPolarHBondContact OG-CB 3.37Å; S10-D73 PolarHBondContact OG-OD2 3.23Å; S10-T93 CarbonylContact O-C 3.58Å; S10-T93 WeakPolarHBondContact O-CA 3.43Å; S10-I94 PolarHBondContact N-O 3.44Å; S10-I94 PolarHBondContact O-N 2.81Å
11	V	98.4	Very high	96.1	Very high	47 Å²	47	53.4 Å²	53.4	29%	0.285	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	117.6	-175.5	-173.3	0	0	0	0	109.5	T9 P19 R20 H92 T93	T9-V11 HydrophobicContact CG2-CG2 4.17Å; V11-P19 CarbonylContact O-C 3.59Å; V11-P19 WeakPolarHBondContact O-CA 3.45Å; V11-P19 WeakPolarHBondContact O-CB 3.5Å; V11-R20 PolarHBondContact N-O 3.06Å; V11-R20 PolarHBondContact O-N 2.82Å; V11-H92 CarbonylContact C-O 3.43Å; V11-H92 WeakPolarHBondContact CA-O 3.37Å; V11-T93 HydrophobicContact CG2-CG2 4.1Å
12	S	97.3	Very high	96.4	Very high	17 Å²	17	51 Å²	51	12%	0.119	28%	0.277	C	S	.	.			trans	-66.8	149.5	174.7	79.3	0	0	0	0	111.2	G90 S91 H92	S12-G90 PolarHBondContact OG-O 2.97Å; S12-S91 PolarHBondContact O-OG 2.9Å; S12-H92 PolarHBondContact N-O 3.48Å; S12-H92 PolarHBondContact OG-N 2.97Å
13	R	95.6	Very high	96.5	Very high	67 Å²	67	48.9 Å²	48.9	25%	0.253	27%	0.268	S	S	.	.			trans	-133.1	68.6	-174.1	-65.3	-167	-72.7	-158.3	-11.6	112.1	G15 R16 E18 D38	R13-G15 PolarHBondContact O-N 2.84Å; R13-R16 HydrophobicContact CB-CB 4.12Å; R13-R16 WeakPolarHBondContact O-CA 3.43Å; R13-R16 PolarHBondContact O-N 2.89Å; R13-E18 VanDerWaalsContact CZ-O 3.26Å; R13-E18 PolarHBondContact NE-O 2.98Å; R13-E18 PolarHBondContact NH2-O 3.21Å; R13-D38 IonicContact CZ-OD1 2.73Å; R13-D38 IonicContact CZ-OD2 3.23Å; R13-D38 IonicContact NH1-OD1 3.21Å; R13-D38 PolarHBondContact NH1-OD1 2.83Å; R13-D38 IonicContact NH1-OD2 3.78Å; R13-D38 PolarHBondContact NH1-OD2 3.32Å; R13-D38 IonicContact NH2-OD1 3.14Å; R13-D38 PolarHBondContact NH2-OD1 3.42Å; R13-D38 IonicContact NH2-OD2 2.69Å
14	P	91.1	Very high	96.6	Very high	46 Å²	46	49.1 Å²	49.1	30%	0.299	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	130.2	-179.7	-26.8	34.7	0	0	0	112.6	R16 E88 G90	P14-R16 PolarHBondContact O-N 2.95Å; P14-R16 VanDerWaalsContact O-N 3.08Å; P14-E88 WeakPolarHBondContact CG-O 3.48Å; P14-G90 WeakPolarHBondContact CG-O 3.35Å
15	G	89.3	Confident	96.6	Very high	93 Å²	93	49.1 Å²	49.1	96%	0.959	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	4.8	-177.1	0	0	0	0	0	116.2	R13	R13-G15 PolarHBondContact O-N 2.84Å
16	R	91.4	Very high	96.6	Very high	215 Å²	215	50.1 Å²	50.1	81%	0.811	27%	0.273	S	S	*	.	S	Bend	trans	-128.2	20.2	-174.3	-62.1	-179	-173.2	-175.1	2.8	113.7	R13 P14	R13-R16 HydrophobicContact CB-CB 4.12Å; R13-R16 WeakPolarHBondContact O-CA 3.43Å; R13-R16 PolarHBondContact O-N 2.89Å; P14-R16 PolarHBondContact O-N 2.95Å; P14-R16 VanDerWaalsContact O-N 3.08Å
17	G	90.8	Very high	96.5	Very high	59 Å²	59	49.9 Å²	49.9	61%	0.608	27%	0.272	S	S	*	.	S	Bend	trans	96.4	-161.9	175.7	0	0	0	0	0	114.1
18	E	93.6	Very high	96.4	Very high	107 Å²	107	47.6 Å²	47.6	50%	0.5	26%	0.263	S	S	.	.	S	Bend	trans	-61.8	152.2	-179	-62.4	-67.3	173.6	0	0	112.1	R13 R74	R13-E18 VanDerWaalsContact CZ-O 3.26Å; R13-E18 PolarHBondContact NE-O 2.98Å; R13-E18 PolarHBondContact NH2-O 3.21Å; E18-R74 IonicContact OE1-CZ 3.37Å; E18-R74 IonicContact OE1-NH1 2.88Å; E18-R74 PolarHBondContact OE1-NH1 2.9Å; E18-R74 WeakPolarHBondContact OE2-CD 3.4Å; E18-R74 IonicContact OE2-CZ 3.82Å; E18-R74 IonicContact OE2-NE 2.73Å; E18-R74 IonicContact OE2-NH1 2.72Å; E18-R74 PolarHBondContact OE2-NH1 3.31Å
19	P	96.4	Very high	96.2	Very high	26 Å²	26	50.2 Å²	50.2	17%	0.169	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-52	144.1	171.8	-25.7	35	0	0	0	112.3	V11 R74 L77	V11-P19 CarbonylContact O-C 3.59Å; V11-P19 WeakPolarHBondContact O-CA 3.45Å; V11-P19 WeakPolarHBondContact O-CB 3.5Å; P19-R74 HydrophobicContact CG-CB 4.37Å; P19-R74 HydrophobicContact CG-CG 4.12Å; P19-L77 HydrophobicContact CB-CD1 3.64Å; P19-L77 HydrophobicContact CG-CD1 3.75Å
20	R	98	Very high	96	Very high	88 Å²	88	49 Å²	49	33%	0.332	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	123.6	170.8	-169.2	175.9	-177.5	174.5	-2.1	108.8	S10 V11 I22 D36 S37 D38	S10-R20 CarbonylContact C-O 3.59Å; S10-R20 VanDerWaalsContact CA-O 3.3Å; S10-R20 WeakPolarHBondContact CA-O 3.41Å; V11-R20 PolarHBondContact N-O 3.06Å; V11-R20 PolarHBondContact O-N 2.82Å; R20-I22 HydrophobicContact CG-CG1 4.21Å; R20-D36 IonicContact CZ-OD1 3.87Å; R20-D36 IonicContact CZ-OD2 2.79Å; R20-D36 IonicContact NE-OD1 3.79Å; R20-D36 PolarHBondContact NE-OD1 2.86Å; R20-D36 IonicContact NE-OD2 3.03Å; R20-D36 VanDerWaalsContact NH2-CG 3.27Å; R20-D36 IonicContact NH2-OD1 3.43Å; R20-D36 PolarHBondContact NH2-OD1 3.49Å; R20-D36 IonicContact NH2-OD2 2.88Å; R20-D36 PolarHBondContact NH2-OD2 2.84Å; R20-S37 WeakPolarHBondContact CA-OG 3.21Å; R20-S37 WeakPolarHBondContact CG-OG 3.45Å; R20-D38 VanDerWaalsContact CD-OD2 3.24Å; R20-D38 WeakPolarHBondContact CD-OD2 3.37Å; R20-D38 IonicContact CZ-OD2 3.6Å; R20-D38 IonicContact NE-OD2 3.64Å; R20-D38 PolarHBondContact NE-OD2 2.9Å
21	F	98.6	Very high	95.9	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.009	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125	172.3	177.9	-81.8	0	0	0	109.3	Y8 S10 A23 F35 S37 V66 Q69 S70 D73	Y8-F21 HydrophobicContact CD1-CZ 4.13Å; Y8-F21 HydrophobicContact CD2-CE2 4.44Å; Y8-F21 HydrophobicContact CD2-CZ 4.14Å; Y8-F21 HydrophobicContact CG-CE2 4.29Å; Y8-F21 AromaticContact CG-CZ 3.88Å; Y8-F21 HydrophobicContact CG-CZ 3.88Å; S10-F21 WeakPolarHBondContact OG-CD2 3.15Å; F21-A23 HydrophobicContact CE1-CB 3.57Å; F21-A23 HydrophobicContact CZ-CB 3.99Å; F21-F35 AromaticContact CD1-CD1 3.67Å; F21-F35 HydrophobicContact CD1-CD1 3.67Å; F21-F35 AromaticContact CD1-CE1 3.79Å; F21-F35 HydrophobicContact CD1-CE1 3.79Å; F21-F35 AromaticContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CE1 4.36Å; F21-S37 PolarHBondContact N-OG 2.92Å; F21-S37 PolarHBondContact O-N 2.9Å; F21-S37 PolarHBondContact O-OG 2.93Å; F21-V66 HydrophobicContact CE1-CB 4Å; F21-V66 HydrophobicContact CZ-CB 4.41Å; F21-Q69 HydrophobicContact CE2-CB 4.25Å; F21-Q69 HydrophobicContact CE2-CG 3.95Å; F21-Q69 HydrophobicContact CZ-CB 4.26Å; F21-Q69 HydrophobicContact CZ-CG 4.24Å; F21-S70 WeakPolarHBondContact CB-OG 3.48Å; F21-S70 VanDerWaalsContact CD2-CA 3.46Å; F21-D73 HydrophobicContact CD2-CB 4.47Å
22	I	98.7	Very high	95.9	Very high	41 Å²	41	49 Å²	49	21%	0.21	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.6	172.1	-57.1	176.4	0	0	0	107.8	Y8 T9 R20	Y8-I22 CarbonylContact C-O 3.59Å; Y8-I22 WeakPolarHBondContact CA-O 3.37Å; T9-I22 PolarHBondContact N-O 3.27Å; T9-I22 PolarHBondContact O-N 3.01Å; R20-I22 HydrophobicContact CG-CG1 4.21Å
23	A	98.8	Very high	95.9	Very high	2 Å²	2	48.1 Å²	48.1	2%	0.017	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	141.3	170.7	0	0	0	0	0	110.9	F7 Y8 F21 R34 F35 V66	F7-A23 WeakPolarHBondContact O-CA 3.49Å; Y8-A23 HydrophobicContact CD1-CB 3.26Å; Y8-A23 HydrophobicContact CE1-CB 3.41Å; Y8-A23 VanDerWaalsContact CE1-CB 3.41Å; Y8-A23 HydrophobicContact CG-CB 4.31Å; F21-A23 HydrophobicContact CE1-CB 3.57Å; F21-A23 HydrophobicContact CZ-CB 3.99Å; A23-R34 CarbonylContact O-C 3.58Å; A23-R34 WeakPolarHBondContact O-CA 3.42Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.42Å; A23-F35 PolarHBondContact O-N 2.96Å; A23-V66 HydrophobicContact CB-CG1 4.17Å
24	V	98.8	Very high	96.1	Very high	25 Å²	25	48.1 Å²	48.1	15%	0.152	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	143.2	173	-63.1	0	0	0	0	110.1	Y6 F7 Y26 Q31 V33 R34	Y6-V24 WeakPolarHBondContact CA-O 3.32Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.38Å; F7-V24 PolarHBondContact N-O 2.68Å; F7-V24 PolarHBondContact O-N 2.79Å; V24-Y26 HydrophobicContact CB-CE2 4Å; V24-Y26 HydrophobicContact CG2-CD2 4.29Å; V24-Y26 HydrophobicContact CG2-CE2 3.77Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.28Å; V24-V33 WeakPolarHBondContact CA-O 3.26Å; V24-R34 HydrophobicContact CG1-CG 4.21Å
25	G	98.6	Very high	96.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136.2	175.7	0	0	0	0	0	110.8	Q31 F32 V33	G25-Q31 WeakPolarHBondContact O-CG 3.45Å; G25-F32 WeakPolarHBondContact O-CD1 3.38Å; G25-F32 PolarHBondContact O-N 3.18Å; G25-V33 PolarHBondContact N-O 3.43Å; G25-V33 PolarHBondContact O-N 2.8Å
26	Y	98.4	Very high	96.9	Very high	73 Å²	73	42.6 Å²	42.6	29%	0.286	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.8	-179.1	-76.3	-104.3	0	0	0	110.9	M4 R5 F7 V24 T30 Q31	M4-Y26 WeakPolarHBondContact CA-O 3.38Å; R5-Y26 PolarHBondContact N-O 3.18Å; R5-Y26 PolarHBondContact O-N 3.11Å; F7-Y26 HydrophobicContact CD2-CD2 4.19Å; F7-Y26 HydrophobicContact CE2-CD2 4.27Å; V24-Y26 HydrophobicContact CB-CE2 4Å; V24-Y26 HydrophobicContact CG2-CD2 4.29Å; V24-Y26 HydrophobicContact CG2-CE2 3.77Å; Y26-T30 WeakPolarHBondContact CA-O 3.3Å; Y26-Q31 HydrophobicContact CD1-CB 4.05Å; Y26-Q31 HydrophobicContact CD2-CB 4.49Å; Y26-Q31 HydrophobicContact CD2-CG 4.27Å; Y26-Q31 HydrophobicContact CE1-CB 3.62Å; Y26-Q31 HydrophobicContact CE1-CG 4.31Å; Y26-Q31 HydrophobicContact CE2-CB 4.1Å; Y26-Q31 HydrophobicContact CE2-CG 3.85Å; Y26-Q31 HydrophobicContact CG-CB 4.45Å
27	V	98.1	Very high	97.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.9	158.9	175.5	0	0	0	0	106.3	S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178	S3-V27 CarbonylContact O-C 3.58Å; S3-V27 WeakPolarHBondContact O-CA 3.46Å; M4-V27 HydrophobicContact CG-CG2 4.27Å; V27-D29 PolarHBondContact O-N 3.4Å; V27-T30 PolarHBondContact N-O 2.87Å; V27-T30 WeakPolarHBondContact O-CB 3.37Å; V27-T30 PolarHBondContact O-N 2.78Å; V27-F32 HydrophobicContact CG2-CD1 3.91Å; V27-F32 HydrophobicContact CG2-CE1 3.91Å; V27-W50 HydrophobicContact CB-CH2 4.34Å; V27-W50 HydrophobicContact CB-CZ2 4.47Å; V27-W50 HydrophobicContact CG2-CH2 3.92Å; V27-L167 HydrophobicContact CG1-CD1 3.63Å; V27-L167 HydrophobicContact CG2-CD1 4.32Å; V27-Y170 HydrophobicContact CG2-CD2 3.9Å; V27-Y170 HydrophobicContact CG2-CG 4.46Å; V27-L171 HydrophobicContact CG1-CD2 4.14Å; V27-L178 HydrophobicContact CB-CD1 4.33Å; V27-L178 HydrophobicContact CB-CD2 4.2Å; V27-L178 HydrophobicContact CG1-CD1 3.88Å; V27-L178 HydrophobicContact CG1-CD2 4.11Å
28	D	95.8	Very high	97.5	Very high	34 Å²	34	33.8 Å²	33.8	18%	0.182	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	46	-130.7	-163.7	-56.3	-45	0	0	0	110.9	H2 S3 T30	H2-D28 VanDerWaalsContact CA-OD1 3.3Å; H2-D28 WeakPolarHBondContact CA-OD1 3.43Å; H2-D28 IonicContact CE1-OD2 3.03Å; H2-D28 IonicContact CG-OD2 2.79Å; H2-D28 IonicContact ND1-OD2 3.49Å; H2-D28 PolarHBondContact ND1-OD2 3.22Å; S3-D28 PolarHBondContact N-OD1 3.2Å; S3-D28 PolarHBondContact O-N 3.38Å; S3-D28 PolarHBondContact OG-OD1 2.73Å; D28-T30 PolarHBondContact O-N 2.89Å
29	D	94.1	Very high	97.6	Very high	64 Å²	64	30.1 Å²	30.1	34%	0.342	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	0.1	179.8	-51.2	-60.4	0	0	0	113.9	V27 P209 A210 F240	V27-D29 PolarHBondContact O-N 3.4Å; D29-P209 WeakPolarHBondContact OD2-CB 3.3Å; D29-A210 HydrophobicContact CB-CB 4.16Å; D29-A210 VanDerWaalsContact CG-CB 3.41Å; D29-A210 WeakPolarHBondContact OD2-CB 3.16Å; D29-A210 PolarHBondContact OD2-N 3.06Å; D29-F240 HydrophobicContact CB-CE2 3.71Å; D29-F240 HydrophobicContact CB-CZ 3.55Å
30	T	95.6	Very high	97.6	Very high	20 Å²	20	34.3 Å²	34.3	12%	0.123	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.6	-172.6	-62.5	0	0	0	0	112	Y26 V27 D28 F32 L178 Y208	Y26-T30 WeakPolarHBondContact CA-O 3.3Å; V27-T30 PolarHBondContact N-O 2.87Å; V27-T30 WeakPolarHBondContact O-CB 3.37Å; V27-T30 PolarHBondContact O-N 2.78Å; D28-T30 PolarHBondContact O-N 2.89Å; T30-F32 PolarHBondContact O-N 2.99Å; T30-L178 HydrophobicContact CG2-CD2 4Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.48Å; T30-Y208 PolarHBondContact OG1-OH 2.76Å; T30-Y208 VanDerWaalsContact OG1-OH 3.05Å
31	Q	96.9	Very high	97.4	Very high	49 Å²	49	32.7 Å²	32.7	23%	0.229	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	128	172.5	-165.4	-176.7	-2.3	0	0	110.7	V24 G25 Y26 V33 R47	V24-Q31 VanDerWaalsContact CG1-NE2 3.28Å; G25-Q31 WeakPolarHBondContact O-CG 3.45Å; Y26-Q31 HydrophobicContact CD1-CB 4.05Å; Y26-Q31 HydrophobicContact CD2-CB 4.49Å; Y26-Q31 HydrophobicContact CD2-CG 4.27Å; Y26-Q31 HydrophobicContact CE1-CB 3.62Å; Y26-Q31 HydrophobicContact CE1-CG 4.31Å; Y26-Q31 HydrophobicContact CE2-CB 4.1Å; Y26-Q31 HydrophobicContact CE2-CG 3.85Å; Y26-Q31 HydrophobicContact CG-CB 4.45Å; Q31-V33 PolarHBondContact NE2-O 3.15Å; Q31-R47 HydrophobicContact CG-CB 4.22Å
32	F	97.9	Very high	97.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-24.1	179.3	75.7	-81.8	0	0	0	114.5	M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170	M4-F32 HydrophobicContact CG-CE1 4.31Å; M4-F32 HydrophobicContact CG-CZ 4.45Å; M4-F32 HydrophobicContact SD-CZ 4.17Å; Y6-F32 HydrophobicContact CE1-CZ 4.3Å; Y6-F32 HydrophobicContact CE2-CZ 4.46Å; Y6-F32 AromaticContact CZ-CZ 3.9Å; G25-F32 WeakPolarHBondContact O-CD1 3.38Å; G25-F32 PolarHBondContact O-N 3.18Å; V27-F32 HydrophobicContact CG2-CD1 3.91Å; V27-F32 HydrophobicContact CG2-CE1 3.91Å; T30-F32 PolarHBondContact O-N 2.99Å; F32-R47 PolarHBondContact O-N 2.74Å; F32-A48 HydrophobicContact CB-CB 4.3Å; F32-W50 HydrophobicContact CB-CH2 3.2Å; F32-W50 HydrophobicContact CB-CZ2 3.42Å; F32-W50 VanDerWaalsContact CB-CZ2 3.42Å; F32-W50 HydrophobicContact CB-CZ3 3.99Å; F32-W50 HydrophobicContact CD1-CH2 4.15Å; F32-W50 AromaticContact CD2-CH2 3.89Å; F32-W50 HydrophobicContact CD2-CH2 3.89Å; F32-W50 HydrophobicContact CD2-CZ3 4.14Å; F32-W50 AromaticContact CG-CH2 3.52Å; F32-W50 HydrophobicContact CG-CH2 3.52Å; F32-W50 HydrophobicContact CG-CZ2 4.2Å; F32-W50 HydrophobicContact CG-CZ3 4.22Å; F32-I51 HydrophobicContact CD2-CB 4.44Å; F32-I51 HydrophobicContact CD2-CD1 3.96Å; F32-I51 HydrophobicContact CD2-CG1 4.05Å; F32-I51 HydrophobicContact CE2-CD1 4.3Å; F32-I51 VanDerWaalsContact O-CG2 3.25Å; F32-I51 WeakPolarHBondContact O-CG2 3.42Å; F32-Y170 HydrophobicContact CD2-CE2 4.31Å; F32-Y170 HydrophobicContact CE2-CD2 4.03Å; F32-Y170 AromaticContact CE2-CE2 3.44Å; F32-Y170 HydrophobicContact CE2-CE2 3.44Å; F32-Y170 VanDerWaalsContact CE2-CE2 3.44Å; F32-Y170 AromaticContact CE2-CZ 3.81Å; F32-Y170 HydrophobicContact CZ-CD2 4.09Å; F32-Y170 AromaticContact CZ-CE2 3.59Å; F32-Y170 HydrophobicContact CZ-CE2 3.59Å
33	V	98.4	Very high	97.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	155.4	175.8	-71.1	0	0	0	0	113.8	Y6 V24 G25 Q31 M44 E45 I51 W59	Y6-V33 HydrophobicContact CE1-CG2 4.21Å; V24-V33 WeakPolarHBondContact CA-O 3.26Å; G25-V33 PolarHBondContact N-O 3.43Å; G25-V33 PolarHBondContact O-N 2.8Å; Q31-V33 PolarHBondContact NE2-O 3.15Å; V33-M44 HydrophobicContact CB-CE 4.5Å; V33-M44 HydrophobicContact CB-CG 4.08Å; V33-M44 HydrophobicContact CB-SD 3.76Å; V33-M44 HydrophobicContact CG1-CG 4.15Å; V33-M44 HydrophobicContact CG1-SD 4.46Å; V33-M44 HydrophobicContact CG2-CE 4.19Å; V33-M44 HydrophobicContact CG2-SD 4.04Å; V33-E45 WeakPolarHBondContact CA-O 3.27Å; V33-I51 HydrophobicContact CG1-CG1 4.42Å; V33-W59 HydrophobicContact CG1-CH2 4.01Å; V33-W59 HydrophobicContact CG1-CZ3 3.85Å
34	R	98.5	Very high	97.2	Very high	67 Å²	67	41.9 Å²	41.9	25%	0.253	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	145.5	169.1	-176.2	174.9	175.6	99.7	2.7	111.8	A23 V24 D36 E45 R47	A23-R34 CarbonylContact O-C 3.58Å; A23-R34 WeakPolarHBondContact O-CA 3.42Å; V24-R34 HydrophobicContact CG1-CG 4.21Å; R34-D36 IonicContact CZ-OD2 2.74Å; R34-D36 IonicContact NE-OD2 3.46Å; R34-D36 IonicContact NH2-OD2 3.98Å; R34-D36 PolarHBondContact NH2-OD2 2.8Å; R34-E45 PolarHBondContact N-O 2.68Å; R34-E45 PolarHBondContact O-N 2.93Å; R34-R47 HydrophobicContact CB-CG 3.97Å
35	F	98.8	Very high	97.1	Very high	5 Å²	5	43.3 Å²	43.3	2%	0.022	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	149.6	159.8	175.2	-79.4	0	0	0	109.7	F21 A23 Q42 R43 M44 V66 K67	F21-F35 AromaticContact CD1-CD1 3.67Å; F21-F35 HydrophobicContact CD1-CD1 3.67Å; F21-F35 AromaticContact CD1-CE1 3.79Å; F21-F35 HydrophobicContact CD1-CE1 3.79Å; F21-F35 AromaticContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CE1 4.36Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.42Å; A23-F35 PolarHBondContact O-N 2.96Å; F35-Q42 HydrophobicContact CE2-CB 4.49Å; F35-R43 VanDerWaalsContact CD2-C 3.48Å; F35-R43 WeakPolarHBondContact CD2-O 3.46Å; F35-M44 HydrophobicContact CB-SD 4.02Å; F35-V66 HydrophobicContact CB-CG2 3.93Å; F35-V66 HydrophobicContact CD1-CG2 4.13Å; F35-V66 HydrophobicContact CD2-CG2 3.32Å; F35-V66 HydrophobicContact CE2-CG2 3.78Å; F35-V66 HydrophobicContact CG-CB 4.33Å; F35-V66 HydrophobicContact CG-CG2 3.54Å; F35-V66 HydrophobicContact CZ-CG2 4.36Å; F35-K67 HydrophobicContact CE2-CG 4.04Å; F35-K67 HydrophobicContact CZ-CG 3.98Å
36	D	98.4	Very high	97.1	Very high	18 Å²	18	45.4 Å²	45.4	10%	0.096	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	124.8	175.1	-157.4	-41.8	0	0	0	109.2	R20 R34 D38 A39	R20-D36 IonicContact CZ-OD1 3.87Å; R20-D36 IonicContact CZ-OD2 2.79Å; R20-D36 IonicContact NE-OD1 3.79Å; R20-D36 PolarHBondContact NE-OD1 2.86Å; R20-D36 IonicContact NE-OD2 3.03Å; R20-D36 VanDerWaalsContact NH2-CG 3.27Å; R20-D36 IonicContact NH2-OD1 3.43Å; R20-D36 PolarHBondContact NH2-OD1 3.49Å; R20-D36 IonicContact NH2-OD2 2.88Å; R20-D36 PolarHBondContact NH2-OD2 2.84Å; R34-D36 IonicContact CZ-OD2 2.74Å; R34-D36 IonicContact NE-OD2 3.46Å; R34-D36 IonicContact NH2-OD2 3.98Å; R34-D36 PolarHBondContact NH2-OD2 2.8Å; D36-D38 PolarHBondContact O-N 2.89Å; D36-D38 PolarHBondContact OD1-N 3.28Å; D36-A39 HydrophobicContact CB-CB 4.13Å; D36-A39 WeakPolarHBondContact O-CB 3.39Å; D36-A39 PolarHBondContact O-N 3.27Å
37	S	97.8	Very high	97.1	Very high	15 Å²	15	47 Å²	47	11%	0.105	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.7	-177.7	60.9	0	0	0	0	113.4	R20 F21 Q42	R20-S37 WeakPolarHBondContact CA-OG 3.21Å; R20-S37 WeakPolarHBondContact CG-OG 3.45Å; F21-S37 PolarHBondContact N-OG 2.92Å; F21-S37 PolarHBondContact O-N 2.9Å; F21-S37 PolarHBondContact O-OG 2.93Å; S37-Q42 PolarHBondContact O-NE2 3.44Å
38	D	96.9	Very high	96.9	Very high	73 Å²	73	47.3 Å²	47.3	39%	0.39	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-6.5	-176.4	-64.5	3.7	0	0	0	112.3	R13 R20 D36	R13-D38 IonicContact CZ-OD1 2.73Å; R13-D38 IonicContact CZ-OD2 3.23Å; R13-D38 IonicContact NH1-OD1 3.21Å; R13-D38 PolarHBondContact NH1-OD1 2.83Å; R13-D38 IonicContact NH1-OD2 3.78Å; R13-D38 PolarHBondContact NH1-OD2 3.32Å; R13-D38 IonicContact NH2-OD1 3.14Å; R13-D38 PolarHBondContact NH2-OD1 3.42Å; R13-D38 IonicContact NH2-OD2 2.69Å; R20-D38 VanDerWaalsContact CD-OD2 3.24Å; R20-D38 WeakPolarHBondContact CD-OD2 3.37Å; R20-D38 IonicContact CZ-OD2 3.6Å; R20-D38 IonicContact NE-OD2 3.64Å; R20-D38 PolarHBondContact NE-OD2 2.9Å; D36-D38 PolarHBondContact O-N 2.89Å; D36-D38 PolarHBondContact OD1-N 3.28Å
39	A	96.8	Very high	97	Very high	30 Å²	30	50.6 Å²	50.6	25%	0.248	28%	0.275	C	S	.	.	S	Bend	trans	-76.3	137.1	175.9	0	0	0	0	0	111.2	D36 S41 Q42	D36-A39 HydrophobicContact CB-CB 4.13Å; D36-A39 WeakPolarHBondContact O-CB 3.39Å; D36-A39 PolarHBondContact O-N 3.27Å; A39-S41 PolarHBondContact O-N 3.43Å; A39-S41 VanDerWaalsContact O-N 3.11Å; A39-Q42 WeakPolarHBondContact O-CG 3.3Å; A39-Q42 PolarHBondContact O-N 2.87Å
40	A	96.1	Very high	97	Very high	115 Å²	115	48.2 Å²	48.2	95%	0.95	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.8	-178.3	0	0	0	0	0	114.2
41	S	93.6	Very high	97.1	Very high	53 Å²	53	47.3 Å²	47.3	37%	0.371	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-35.4	173.8	56.5	0	0	0	0	112.7	A39 R43 E45	A39-S41 PolarHBondContact O-N 3.43Å; A39-S41 VanDerWaalsContact O-N 3.11Å; S41-R43 PolarHBondContact O-N 3.42Å; S41-E45 PolarHBondContact OG-OE1 2.97Å
42	Q	95.7	Very high	97.1	Very high	91 Å²	91	50.8 Å²	50.8	43%	0.425	27%	0.272	S	S	.	.			trans	34	52.9	-164.2	-62.7	-167.3	-19.5	0	0	112.5	F35 S37 A39 K67	F35-Q42 HydrophobicContact CE2-CB 4.49Å; S37-Q42 PolarHBondContact O-NE2 3.44Å; A39-Q42 WeakPolarHBondContact O-CG 3.3Å; A39-Q42 PolarHBondContact O-N 2.87Å; Q42-K67 WeakPolarHBondContact O-CE 3.18Å; Q42-K67 PolarHBondContact O-NZ 2.85Å
43	R	97.8	Very high	97	Very high	140 Å²	140	56.6 Å²	56.6	53%	0.528	30%	0.299	S	S	.	.	S	Bend	trans	-128.6	158	179.5	-86.8	176.2	156.4	-178.9	-11.7	110.3	F35 S41 D60 T63	F35-R43 VanDerWaalsContact CD2-C 3.48Å; F35-R43 WeakPolarHBondContact CD2-O 3.46Å; S41-R43 PolarHBondContact O-N 3.42Å; R43-D60 IonicContact NH2-OD1 3.27Å; R43-D60 PolarHBondContact NH2-OD1 3.32Å; R43-T63 HydrophobicContact CG-CG2 4.02Å
44	M	98.2	Very high	96.9	Very high	8 Å²	8	57.1 Å²	57.1	4%	0.039	30%	0.302	C	S	.	.			trans	-69.6	130.1	163.6	-170.8	70	96.4	0	0	107.5	V33 F35 W59 E62 T63 V66	V33-M44 HydrophobicContact CB-CE 4.5Å; V33-M44 HydrophobicContact CB-CG 4.08Å; V33-M44 HydrophobicContact CB-SD 3.76Å; V33-M44 HydrophobicContact CG1-CG 4.15Å; V33-M44 HydrophobicContact CG1-SD 4.46Å; V33-M44 HydrophobicContact CG2-CE 4.19Å; V33-M44 HydrophobicContact CG2-SD 4.04Å; F35-M44 HydrophobicContact CB-SD 4.02Å; M44-W59 HydrophobicContact CB-CE3 4.26Å; M44-W59 HydrophobicContact CG-CE3 4.2Å; M44-W59 HydrophobicContact CG-CZ3 4.03Å; M44-E62 HydrophobicContact CB-CB 4.1Å; M44-E62 HydrophobicContact CE-CB 4.12Å; M44-E62 HydrophobicContact CG-CB 4.06Å; M44-T63 PolarHBondContact N-OG1 2.59Å; M44-V66 HydrophobicContact CE-CG1 3.48Å; M44-V66 VanDerWaalsContact CE-CG1 3.48Å
45	E	98.1	Very high	96.8	Very high	55 Å²	55	55.6 Å²	55.6	26%	0.257	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	143.2	-175.4	-62.4	176.3	178.1	0	0	110.7	V33 R34 S41 R47	V33-E45 WeakPolarHBondContact CA-O 3.27Å; R34-E45 PolarHBondContact N-O 2.68Å; R34-E45 PolarHBondContact O-N 2.93Å; S41-E45 PolarHBondContact OG-OE1 2.97Å; E45-R47 IonicContact OE2-CZ 2.71Å; E45-R47 IonicContact OE2-NH1 3.07Å; E45-R47 PolarHBondContact OE2-NH1 2.89Å; E45-R47 IonicContact OE2-NH2 2.78Å; E45-R47 PolarHBondContact OE2-NH2 3.5Å
46	P	98	Very high	96.7	Very high	43 Å²	43	60 Å²	60	28%	0.279	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	150.7	174.9	28.4	-35.4	0	0	0	111.7	I51 E52 W59	P46-I51 HydrophobicContact CB-CG2 3.7Å; P46-E52 HydrophobicContact CB-CG 3.67Å; P46-E52 HydrophobicContact CG-CG 3.94Å; P46-W59 HydrophobicContact CB-CH2 3.65Å; P46-W59 HydrophobicContact CB-CZ2 4.08Å; P46-W59 HydrophobicContact CB-CZ3 4.48Å; P46-W59 HydrophobicContact CG-CH2 4.25Å; P46-W59 HydrophobicContact CG-CZ2 4.5Å
47	R	97.1	Very high	96.7	Very high	108 Å²	108	67 Å²	67	41%	0.408	37%	0.368	S	S	.	.	S	Bend	trans	-133.3	0.2	171.7	-65.7	-62.7	-177.9	-92.5	4.2	113.8	Q31 F32 R34 E45	Q31-R47 HydrophobicContact CG-CB 4.22Å; F32-R47 PolarHBondContact O-N 2.74Å; R34-R47 HydrophobicContact CB-CG 3.97Å; E45-R47 IonicContact OE2-CZ 2.71Å; E45-R47 IonicContact OE2-NH1 3.07Å; E45-R47 PolarHBondContact OE2-NH1 2.89Å; E45-R47 IonicContact OE2-NH2 2.78Å; E45-R47 PolarHBondContact OE2-NH2 3.5Å
48	A	95.7	Very high	96.7	Very high	6 Å²	6	67.1 Å²	67.1	5%	0.05	37%	0.366	C	S	.	.	S	Bend	trans	-137.5	142.7	170.5	0	0	0	0	0	110.5	F32 W50 I51	F32-A48 HydrophobicContact CB-CB 4.3Å; A48-W50 HydrophobicContact CB-CD2 4.28Å; A48-W50 HydrophobicContact CB-CG 4.39Å; A48-W50 HydrophobicContact CB-CZ2 4.17Å; A48-W50 PolarHBondContact O-N 3.34Å; A48-W50 VanDerWaalsContact O-N 3.16Å; A48-I51 WeakPolarHBondContact O-CG2 3.39Å; A48-I51 PolarHBondContact O-N 2.94Å
49	P	95.9	Very high	96.7	Very high	103 Å²	103	65.6 Å²	65.6	67%	0.669	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-59	-33.5	-175.3	-26.5	35.1	0	0	0	114	I51 E52	P49-I51 PolarHBondContact O-N 3.48Å; P49-E52 WeakPolarHBondContact O-CB 3.49Å; P49-E52 PolarHBondContact O-N 3.04Å; P49-E52 VanDerWaalsContact O-N 3.09Å
50	W	95.9	Very high	96.8	Very high	14 Å²	14	67.5 Å²	67.5	5%	0.053	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-70.4	-12.7	-176.6	56.5	-107.8	0	0	0	114.8	V27 F32 A48 Q53 Y170 N173 G174 L178	V27-W50 HydrophobicContact CB-CH2 4.34Å; V27-W50 HydrophobicContact CB-CZ2 4.47Å; V27-W50 HydrophobicContact CG2-CH2 3.92Å; F32-W50 HydrophobicContact CB-CH2 3.2Å; F32-W50 HydrophobicContact CB-CZ2 3.42Å; F32-W50 VanDerWaalsContact CB-CZ2 3.42Å; F32-W50 HydrophobicContact CB-CZ3 3.99Å; F32-W50 HydrophobicContact CD1-CH2 4.15Å; F32-W50 AromaticContact CD2-CH2 3.89Å; F32-W50 HydrophobicContact CD2-CH2 3.89Å; F32-W50 HydrophobicContact CD2-CZ3 4.14Å; F32-W50 AromaticContact CG-CH2 3.52Å; F32-W50 HydrophobicContact CG-CH2 3.52Å; F32-W50 HydrophobicContact CG-CZ2 4.2Å; F32-W50 HydrophobicContact CG-CZ3 4.22Å; A48-W50 HydrophobicContact CB-CD2 4.28Å; A48-W50 HydrophobicContact CB-CG 4.39Å; A48-W50 HydrophobicContact CB-CZ2 4.17Å; A48-W50 PolarHBondContact O-N 3.34Å; A48-W50 VanDerWaalsContact O-N 3.16Å; W50-Q53 PolarHBondContact O-NE2 2.95Å; W50-Y170 HydrophobicContact CH2-CG 4.2Å; W50-Y170 AromaticContact CZ3-CD1 3.86Å; W50-Y170 HydrophobicContact CZ3-CD1 3.86Å; W50-Y170 HydrophobicContact CZ3-CD2 4.38Å; W50-Y170 AromaticContact CZ3-CG 3.68Å; W50-Y170 HydrophobicContact CZ3-CG 3.68Å; W50-N173 WeakPolarHBondContact CB-O 3.28Å; W50-G174 VanDerWaalsContact CB-CA 3.43Å; W50-L178 HydrophobicContact CD2-CD1 4.41Å; W50-L178 HydrophobicContact CH2-CD1 4.19Å; W50-L178 HydrophobicContact CZ2-CD1 3.72Å; W50-L178 HydrophobicContact CZ2-CD2 3.96Å; W50-L178 HydrophobicContact CZ2-CG 4.2Å
51	I	97.5	Very high	96.9	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-90.9	-19.1	171.2	-164	73.2	0	0	0	112	F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170	F32-I51 HydrophobicContact CD2-CB 4.44Å; F32-I51 HydrophobicContact CD2-CD1 3.96Å; F32-I51 HydrophobicContact CD2-CG1 4.05Å; F32-I51 HydrophobicContact CE2-CD1 4.3Å; F32-I51 VanDerWaalsContact O-CG2 3.25Å; F32-I51 WeakPolarHBondContact O-CG2 3.42Å; V33-I51 HydrophobicContact CG1-CG1 4.42Å; P46-I51 HydrophobicContact CB-CG2 3.7Å; A48-I51 WeakPolarHBondContact O-CG2 3.39Å; A48-I51 PolarHBondContact O-N 2.94Å; P49-I51 PolarHBondContact O-N 3.48Å; I51-Q53 PolarHBondContact O-N 3.34Å; I51-Q53 VanDerWaalsContact O-N 3.13Å; I51-E54 HydrophobicContact CD1-CG 3.62Å; I51-E54 HydrophobicContact CG1-CG 4.16Å; I51-E54 WeakPolarHBondContact O-CB 3.36Å; I51-E54 WeakPolarHBondContact O-CG 3.32Å; I51-E54 PolarHBondContact O-N 3.47Å; I51-Y58 HydrophobicContact CD1-CE1 4.06Å; I51-Y58 HydrophobicContact CG1-CE1 4.02Å; I51-W59 HydrophobicContact CB-CH2 4.47Å; I51-W59 HydrophobicContact CG1-CH2 3.79Å; I51-W59 HydrophobicContact CG1-CZ2 3.95Å; I51-W59 HydrophobicContact CG2-CH2 3.99Å; I51-W59 HydrophobicContact CG2-CZ2 4.35Å; I51-W59 WeakPolarHBondContact O-CZ2 3.35Å; I51-Y170 HydrophobicContact CD1-CD1 3.78Å; I51-Y170 HydrophobicContact CD1-CE1 3.31Å
52	E	96.2	Very high	97.1	Very high	122 Å²	122	64.1 Å²	64.1	57%	0.57	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-20.2	-175.8	-62.6	-178.2	-171.2	0	0	113.6	P46 P49 E54	P46-E52 HydrophobicContact CB-CG 3.67Å; P46-E52 HydrophobicContact CG-CG 3.94Å; P49-E52 WeakPolarHBondContact O-CB 3.49Å; P49-E52 PolarHBondContact O-N 3.04Å; P49-E52 VanDerWaalsContact O-N 3.09Å; E52-E54 PolarHBondContact O-N 2.92Å
53	Q	95.1	Very high	97.2	Very high	123 Å²	123	60.3 Å²	60.3	58%	0.575	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-10.3	172.5	69.2	-171.6	-46.4	0	0	114.3	W50 I51	W50-Q53 PolarHBondContact O-NE2 2.95Å; I51-Q53 PolarHBondContact O-N 3.34Å; I51-Q53 VanDerWaalsContact O-N 3.13Å
54	E	97	Very high	97.3	Very high	11 Å²	11	60.2 Å²	60.2	5%	0.051	30%	0.302	C	S	.	.	S	Bend	trans	-69.6	136.8	177.5	-69.6	-61.7	163.8	0	0	111.9	I51 E52 Y58 W59 R169 N173	I51-E54 HydrophobicContact CD1-CG 3.62Å; I51-E54 HydrophobicContact CG1-CG 4.16Å; I51-E54 WeakPolarHBondContact O-CB 3.36Å; I51-E54 WeakPolarHBondContact O-CG 3.32Å; I51-E54 PolarHBondContact O-N 3.47Å; E52-E54 PolarHBondContact O-N 2.92Å; E54-Y58 HydrophobicContact CB-CD1 3.43Å; E54-Y58 VanDerWaalsContact CB-CD1 3.43Å; E54-Y58 HydrophobicContact CB-CE1 4.03Å; E54-Y58 HydrophobicContact CB-CG 3.9Å; E54-Y58 HydrophobicContact CG-CD1 3.99Å; E54-Y58 HydrophobicContact CG-CE1 4.2Å; E54-Y58 HydrophobicContact CG-CG 4.31Å; E54-W59 HydrophobicContact CB-CZ2 4.5Å; E54-W59 PolarHBondContact O-NE1 3.5Å; E54-R169 VanDerWaalsContact CD-NH2 3.35Å; E54-R169 IonicContact OE1-CZ 2.76Å; E54-R169 IonicContact OE1-NE 3.2Å; E54-R169 PolarHBondContact OE1-NE 3.05Å; E54-R169 IonicContact OE1-NH2 2.82Å; E54-R169 PolarHBondContact OE1-NH2 2.94Å; E54-R169 IonicContact OE2-CZ 3.78Å; E54-R169 IonicContact OE2-NE 3.66Å; E54-R169 IonicContact OE2-NH2 3.12Å; E54-R169 PolarHBondContact OE2-NH2 2.83Å; E54-N173 PolarHBondContact OE1-ND2 2.97Å; E54-N173 VanDerWaalsContact OE1-ND2 3.08Å
55	G	96.4	Very high	97.2	Very high	34 Å²	34	62.7 Å²	62.7	35%	0.351	32%	0.316	S	S	.	.			trans	-68.8	164.7	-173	0	0	0	0	0	114.3	E57 Y58 W59	G55-E57 PolarHBondContact O-N 3.47Å; G55-E57 VanDerWaalsContact O-N 3.13Å; G55-Y58 WeakPolarHBondContact O-CB 3.49Å; G55-Y58 PolarHBondContact O-N 2.93Å; G55-W59 VanDerWaalsContact O-CD1 3.3Å; G55-W59 PolarHBondContact O-N 2.93Å
56	P	97.1	Very high	97.2	Very high	98 Å²	98	60 Å²	60	64%	0.636	30%	0.303	S	S	*	.	H	α-helix	trans	-57.9	-31.9	-177.9	23.7	-34.3	0	0	0	113.2	Y58 W59 D60	P56-Y58 VanDerWaalsContact C-N 3.3Å; P56-Y58 PolarHBondContact O-N 3.41Å; P56-W59 PolarHBondContact O-N 2.9Å; P56-D60 WeakPolarHBondContact O-CB 3.47Å; P56-D60 PolarHBondContact O-N 3.46Å
57	E	97.6	Very high	97.2	Very high	166 Å²	166	61.8 Å²	61.8	78%	0.776	31%	0.307	S	S	*	.	H	α-helix	trans	-60	-36.7	176.3	-61.3	-175.8	170.1	0	0	112.9	G55 Q61	G55-E57 PolarHBondContact O-N 3.47Å; G55-E57 VanDerWaalsContact O-N 3.13Å; E57-Q61 WeakPolarHBondContact O-CB 3.4Å; E57-Q61 PolarHBondContact O-N 3.43Å
58	Y	97.6	Very high	97.3	Very high	17 Å²	17	59.4 Å²	59.4	7%	0.067	31%	0.31	C	S	.	.	H	α-helix	trans	-66.2	-50.8	174.4	166.7	-99.8	0	0	0	110.4	I51 E54 G55 P56 D60 Q61 E62 W166 Y170	I51-Y58 HydrophobicContact CD1-CE1 4.06Å; I51-Y58 HydrophobicContact CG1-CE1 4.02Å; E54-Y58 HydrophobicContact CB-CD1 3.43Å; E54-Y58 VanDerWaalsContact CB-CD1 3.43Å; E54-Y58 HydrophobicContact CB-CE1 4.03Å; E54-Y58 HydrophobicContact CB-CG 3.9Å; E54-Y58 HydrophobicContact CG-CD1 3.99Å; E54-Y58 HydrophobicContact CG-CE1 4.2Å; E54-Y58 HydrophobicContact CG-CG 4.31Å; G55-Y58 WeakPolarHBondContact O-CB 3.49Å; G55-Y58 PolarHBondContact O-N 2.93Å; P56-Y58 VanDerWaalsContact C-N 3.3Å; P56-Y58 PolarHBondContact O-N 3.41Å; Y58-D60 PolarHBondContact O-N 3.5Å; Y58-Q61 PolarHBondContact O-N 3.38Å; Y58-Q61 VanDerWaalsContact O-N 3.14Å; Y58-E62 HydrophobicContact CD2-CG 3.99Å; Y58-E62 HydrophobicContact CE1-CG 4.37Å; Y58-E62 HydrophobicContact CE2-CG 3.54Å; Y58-E62 PolarHBondContact O-N 2.8Å; Y58-W166 AromaticContact CD2-CH2 3.57Å; Y58-W166 HydrophobicContact CD2-CH2 3.57Å; Y58-W166 HydrophobicContact CD2-CZ2 4.06Å; Y58-W166 HydrophobicContact CD2-CZ3 4Å; Y58-W166 HydrophobicContact CE2-CH2 4.05Å; Y58-W166 HydrophobicContact CE2-CZ2 4.43Å; Y58-W166 HydrophobicContact CE2-CZ3 4.11Å; Y58-W166 HydrophobicContact CG-CH2 4.5Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.22Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.4Å; Y58-Y170 PolarHBondContact OH-OH 2.71Å; Y58-Y170 VanDerWaalsContact OH-OH 3.09Å
59	W	98.3	Very high	97.4	Very high	40 Å²	40	61 Å²	61	15%	0.152	32%	0.316	C	S	.	.	H	α-helix	trans	-63.3	-38.9	-179.3	-63.3	108	0	0	0	113.3	V33 M44 P46 I51 E54 G55 P56 T63	V33-W59 HydrophobicContact CG1-CH2 4.01Å; V33-W59 HydrophobicContact CG1-CZ3 3.85Å; M44-W59 HydrophobicContact CB-CE3 4.26Å; M44-W59 HydrophobicContact CG-CE3 4.2Å; M44-W59 HydrophobicContact CG-CZ3 4.03Å; P46-W59 HydrophobicContact CB-CH2 3.65Å; P46-W59 HydrophobicContact CB-CZ2 4.08Å; P46-W59 HydrophobicContact CB-CZ3 4.48Å; P46-W59 HydrophobicContact CG-CH2 4.25Å; P46-W59 HydrophobicContact CG-CZ2 4.5Å; I51-W59 HydrophobicContact CB-CH2 4.47Å; I51-W59 HydrophobicContact CG1-CH2 3.79Å; I51-W59 HydrophobicContact CG1-CZ2 3.95Å; I51-W59 HydrophobicContact CG2-CH2 3.99Å; I51-W59 HydrophobicContact CG2-CZ2 4.35Å; I51-W59 WeakPolarHBondContact O-CZ2 3.35Å; E54-W59 HydrophobicContact CB-CZ2 4.5Å; E54-W59 PolarHBondContact O-NE1 3.5Å; G55-W59 VanDerWaalsContact O-CD1 3.3Å; G55-W59 PolarHBondContact O-N 2.93Å; P56-W59 PolarHBondContact O-N 2.9Å; W59-T63 WeakPolarHBondContact O-CB 3.12Å; W59-T63 PolarHBondContact O-N 2.86Å; W59-T63 PolarHBondContact O-OG1 3.39Å
60	D	98.2	Very high	97.5	Very high	71 Å²	71	57 Å²	57	38%	0.38	29%	0.291	S	S	.	.	H	α-helix	trans	-75.4	-25.8	175.1	-80.1	-29	0	0	0	112.4	R43 P56 Y58 R64	R43-D60 IonicContact NH2-OD1 3.27Å; R43-D60 PolarHBondContact NH2-OD1 3.32Å; P56-D60 WeakPolarHBondContact O-CB 3.47Å; P56-D60 PolarHBondContact O-N 3.46Å; Y58-D60 PolarHBondContact O-N 3.5Å; D60-R64 WeakPolarHBondContact O-CB 3.08Å; D60-R64 VanDerWaalsContact O-CG 3.27Å; D60-R64 WeakPolarHBondContact O-CG 3.37Å; D60-R64 PolarHBondContact O-N 2.41Å; D60-R64 PolarHBondContact O-NE 3.1Å
61	Q	97.8	Very high	97.6	Very high	76 Å²	76	60.7 Å²	60.7	36%	0.355	31%	0.309	S	S	.	.	H	α-helix	trans	-74.2	-48.4	171	-174.9	61	60.3	0	0	111.7	E57 Y58 T63 R64 N65	E57-Q61 WeakPolarHBondContact O-CB 3.4Å; E57-Q61 PolarHBondContact O-N 3.43Å; Y58-Q61 PolarHBondContact O-N 3.38Å; Y58-Q61 VanDerWaalsContact O-N 3.14Å; Q61-T63 PolarHBondContact O-N 3.47Å; Q61-R64 VanDerWaalsContact CA-NH2 3.32Å; Q61-R64 PolarHBondContact O-N 2.96Å; Q61-R64 VanDerWaalsContact O-N 3.14Å; Q61-R64 VanDerWaalsContact OE1-CZ 3.26Å; Q61-R64 VanDerWaalsContact OE1-NH1 3.07Å; Q61-N65 PolarHBondContact NE2-OD1 2.84Å; Q61-N65 PolarHBondContact O-N 3.45Å; Q61-N65 PolarHBondContact O-ND2 2.79Å; Q61-N65 PolarHBondContact O-OD1 2.94Å
62	E	97.9	Very high	97.6	Very high	20 Å²	20	64 Å²	64	9%	0.093	33%	0.329	C	S	.	.	H	α-helix	trans	-65.1	-39.5	178.2	-72.1	-60.1	92.6	0	0	111.8	M44 Y58 R64 N65 V66	M44-E62 HydrophobicContact CB-CB 4.1Å; M44-E62 HydrophobicContact CE-CB 4.12Å; M44-E62 HydrophobicContact CG-CB 4.06Å; Y58-E62 HydrophobicContact CD2-CG 3.99Å; Y58-E62 HydrophobicContact CE1-CG 4.37Å; Y58-E62 HydrophobicContact CE2-CG 3.54Å; Y58-E62 PolarHBondContact O-N 2.8Å; E62-R64 VanDerWaalsContact C-N 3.31Å; E62-R64 PolarHBondContact O-N 3.27Å; E62-N65 WeakPolarHBondContact O-CB 3.37Å; E62-N65 PolarHBondContact O-N 2.94Å; E62-N65 PolarHBondContact OE1-ND2 3.12Å; E62-V66 WeakPolarHBondContact O-CG2 3.42Å; E62-V66 PolarHBondContact O-N 2.93Å
63	T	98.5	Very high	97.6	Very high	11 Å²	11	58.2 Å²	58.2	7%	0.067	30%	0.302	C	S	.	.	H	α-helix	trans	-59.5	-40.2	171.9	-63.3	0	0	0	0	111.8	R43 M44 W59 Q61 K67	R43-T63 HydrophobicContact CG-CG2 4.02Å; M44-T63 PolarHBondContact N-OG1 2.59Å; W59-T63 WeakPolarHBondContact O-CB 3.12Å; W59-T63 PolarHBondContact O-N 2.86Å; W59-T63 PolarHBondContact O-OG1 3.39Å; Q61-T63 PolarHBondContact O-N 3.47Å; T63-K67 HydrophobicContact CG2-CD 4.22Å; T63-K67 WeakPolarHBondContact O-CB 3.33Å; T63-K67 WeakPolarHBondContact O-CG 3.42Å; T63-K67 PolarHBondContact O-N 3.33Å; T63-K67 VanDerWaalsContact O-N 3.13Å
64	R	98.3	Very high	97.7	Very high	139 Å²	139	56.7 Å²	56.7	53%	0.525	29%	0.291	S	S	.	.	H	α-helix	trans	-68	-40.5	175	-79.1	178.1	-69.3	130.5	0.2	111.8	D60 Q61 E62 K67 A68	D60-R64 WeakPolarHBondContact O-CB 3.08Å; D60-R64 VanDerWaalsContact O-CG 3.27Å; D60-R64 WeakPolarHBondContact O-CG 3.37Å; D60-R64 PolarHBondContact O-N 2.41Å; D60-R64 PolarHBondContact O-NE 3.1Å; Q61-R64 VanDerWaalsContact CA-NH2 3.32Å; Q61-R64 PolarHBondContact O-N 2.96Å; Q61-R64 VanDerWaalsContact O-N 3.14Å; Q61-R64 VanDerWaalsContact OE1-CZ 3.26Å; Q61-R64 VanDerWaalsContact OE1-NH1 3.07Å; E62-R64 VanDerWaalsContact C-N 3.31Å; E62-R64 PolarHBondContact O-N 3.27Å; R64-K67 PolarHBondContact O-N 3.02Å; R64-A68 WeakPolarHBondContact O-CB 3.16Å; R64-A68 PolarHBondContact O-N 2.97Å
65	N	97.4	Very high	97.8	Very high	59 Å²	59	60.6 Å²	60.6	32%	0.316	32%	0.315	S	S	.	.	H	α-helix	trans	-59.8	-52.8	178.6	-67.8	-16.6	0	0	0	111.2	Q61 E62 K67 A68 Q69	Q61-N65 PolarHBondContact NE2-OD1 2.84Å; Q61-N65 PolarHBondContact O-N 3.45Å; Q61-N65 PolarHBondContact O-ND2 2.79Å; Q61-N65 PolarHBondContact O-OD1 2.94Å; E62-N65 WeakPolarHBondContact O-CB 3.37Å; E62-N65 PolarHBondContact O-N 2.94Å; E62-N65 PolarHBondContact OE1-ND2 3.12Å; N65-K67 PolarHBondContact O-N 3.29Å; N65-A68 PolarHBondContact O-N 2.98Å; N65-Q69 PolarHBondContact O-N 2.79Å
66	V	97.9	Very high	97.8	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-70.6	-30.6	-179.5	-61.3	0	0	0	0	113.2	Y8 F21 A23 F35 M44 E62 Q69 S70	Y8-V66 HydrophobicContact CE1-CG1 4.32Å; F21-V66 HydrophobicContact CE1-CB 4Å; F21-V66 HydrophobicContact CZ-CB 4.41Å; A23-V66 HydrophobicContact CB-CG1 4.17Å; F35-V66 HydrophobicContact CB-CG2 3.93Å; F35-V66 HydrophobicContact CD1-CG2 4.13Å; F35-V66 HydrophobicContact CD2-CG2 3.32Å; F35-V66 HydrophobicContact CE2-CG2 3.78Å; F35-V66 HydrophobicContact CG-CB 4.33Å; F35-V66 HydrophobicContact CG-CG2 3.54Å; F35-V66 HydrophobicContact CZ-CG2 4.36Å; M44-V66 HydrophobicContact CE-CG1 3.48Å; M44-V66 VanDerWaalsContact CE-CG1 3.48Å; E62-V66 WeakPolarHBondContact O-CG2 3.42Å; E62-V66 PolarHBondContact O-N 2.93Å; V66-Q69 PolarHBondContact O-N 2.84Å; V66-S70 VanDerWaalsContact O-CB 3.29Å; V66-S70 WeakPolarHBondContact O-CB 3.38Å; V66-S70 PolarHBondContact O-N 3.12Å
67	K	98.3	Very high	97.9	Very high	80 Å²	80	57.6 Å²	57.6	35%	0.348	29%	0.285	S	S	.	.	H	α-helix	trans	-67.9	-38.2	171.6	-77	-173.5	-179.5	-175.5	0	112.4	F35 Q42 T63 R64 N65 S70 Q71	F35-K67 HydrophobicContact CE2-CG 4.04Å; F35-K67 HydrophobicContact CZ-CG 3.98Å; Q42-K67 WeakPolarHBondContact O-CE 3.18Å; Q42-K67 PolarHBondContact O-NZ 2.85Å; T63-K67 HydrophobicContact CG2-CD 4.22Å; T63-K67 WeakPolarHBondContact O-CB 3.33Å; T63-K67 WeakPolarHBondContact O-CG 3.42Å; T63-K67 PolarHBondContact O-N 3.33Å; T63-K67 VanDerWaalsContact O-N 3.13Å; R64-K67 PolarHBondContact O-N 3.02Å; N65-K67 PolarHBondContact O-N 3.29Å; K67-S70 PolarHBondContact O-N 2.92Å; K67-Q71 WeakPolarHBondContact O-CG 3.33Å; K67-Q71 PolarHBondContact O-N 2.95Å
68	A	98.2	Very high	97.8	Very high	57 Å²	57	51.4 Å²	51.4	47%	0.471	27%	0.267	S	S	.	.	H	α-helix	trans	-63.1	-47	173.1	0	0	0	0	0	111.1	R64 N65 S70 Q71 T72	R64-A68 WeakPolarHBondContact O-CB 3.16Å; R64-A68 PolarHBondContact O-N 2.97Å; N65-A68 PolarHBondContact O-N 2.98Å; A68-S70 PolarHBondContact O-N 3.35Å; A68-Q71 PolarHBondContact O-N 2.92Å; A68-Q71 VanDerWaalsContact O-N 3.15Å; A68-T72 PolarHBondContact O-N 3.44Å; A68-T72 VanDerWaalsContact O-N 3.08Å; A68-T72 PolarHBondContact O-OG1 2.92Å
69	Q	97.9	Very high	97.8	Very high	40 Å²	40	52.8 Å²	52.8	19%	0.187	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-43.4	175.9	-170.6	68.6	58.4	0	0	112.2	Y8 F21 N65 V66 Q71 T72 D73	Y8-Q69 HydrophobicContact CD2-CG 3.66Å; Y8-Q69 HydrophobicContact CE2-CB 4.26Å; Y8-Q69 HydrophobicContact CE2-CG 3.7Å; F21-Q69 HydrophobicContact CE2-CB 4.25Å; F21-Q69 HydrophobicContact CE2-CG 3.95Å; F21-Q69 HydrophobicContact CZ-CB 4.26Å; F21-Q69 HydrophobicContact CZ-CG 4.24Å; N65-Q69 PolarHBondContact O-N 2.79Å; V66-Q69 PolarHBondContact O-N 2.84Å; Q69-Q71 PolarHBondContact O-N 2.85Å; Q69-T72 CarbonylContact O-C 3.55Å; Q69-T72 WeakPolarHBondContact O-CA 3.5Å; Q69-T72 WeakPolarHBondContact O-CB 3.47Å; Q69-T72 PolarHBondContact O-N 2.77Å; Q69-D73 WeakPolarHBondContact CG-OD1 3.18Å; Q69-D73 PolarHBondContact NE2-OD1 2.72Å; Q69-D73 PolarHBondContact O-N 2.93Å; Q69-D73 VanDerWaalsContact O-OD1 3.14Å
70	S	97.9	Very high	97.7	Very high	19 Å²	19	51.3 Å²	51.3	13%	0.133	27%	0.272	C	S	.	.	H	α-helix	trans	-56.9	-31.7	175.2	173	0	0	0	0	113.6	F21 V66 K67 A68 R74	F21-S70 WeakPolarHBondContact CB-OG 3.48Å; F21-S70 VanDerWaalsContact CD2-CA 3.46Å; V66-S70 VanDerWaalsContact O-CB 3.29Å; V66-S70 WeakPolarHBondContact O-CB 3.38Å; V66-S70 PolarHBondContact O-N 3.12Å; K67-S70 PolarHBondContact O-N 2.92Å; A68-S70 PolarHBondContact O-N 3.35Å; S70-R74 PolarHBondContact O-N 3.35Å
71	Q	97.8	Very high	97.6	Very high	92 Å²	92	51.2 Å²	51.2	43%	0.43	27%	0.266	S	S	.	.	H	α-helix	trans	-77.5	-35.3	173.1	-65.8	-55.7	-64.4	0	0	112.8	K67 A68 Q69 V75	K67-Q71 WeakPolarHBondContact O-CG 3.33Å; K67-Q71 PolarHBondContact O-N 2.95Å; A68-Q71 PolarHBondContact O-N 2.92Å; A68-Q71 VanDerWaalsContact O-N 3.15Å; Q69-Q71 PolarHBondContact O-N 2.85Å; Q71-V75 PolarHBondContact O-N 2.9Å
72	T	97.9	Very high	97.6	Very high	68 Å²	68	49.7 Å²	49.7	42%	0.417	27%	0.271	S	S	.	.	H	α-helix	trans	-63.5	-54	172.5	-58.4	0	0	0	0	111.2	A68 Q69 R74 V75 D76	A68-T72 PolarHBondContact O-N 3.44Å; A68-T72 VanDerWaalsContact O-N 3.08Å; A68-T72 PolarHBondContact O-OG1 2.92Å; Q69-T72 CarbonylContact O-C 3.55Å; Q69-T72 WeakPolarHBondContact O-CA 3.5Å; Q69-T72 WeakPolarHBondContact O-CB 3.47Å; Q69-T72 PolarHBondContact O-N 2.77Å; T72-R74 PolarHBondContact O-N 2.9Å; T72-R74 VanDerWaalsContact O-N 3.13Å; T72-V75 WeakPolarHBondContact O-CA 3.34Å; T72-V75 PolarHBondContact O-N 2.9Å; T72-D76 WeakPolarHBondContact CG2-OD2 3.25Å; T72-D76 PolarHBondContact O-N 3.46Å
73	D	97.6	Very high	97.6	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-55.2	-34.5	178.5	-74.2	30.9	0	0	0	112.5	S10 F21 Q69 D76 L77	S10-D73 WeakPolarHBondContact CB-OD2 3.34Å; S10-D73 VanDerWaalsContact OG-CB 3.23Å; S10-D73 WeakPolarHBondContact OG-CB 3.37Å; S10-D73 PolarHBondContact OG-OD2 3.23Å; F21-D73 HydrophobicContact CD2-CB 4.47Å; Q69-D73 WeakPolarHBondContact CG-OD1 3.18Å; Q69-D73 PolarHBondContact NE2-OD1 2.72Å; Q69-D73 PolarHBondContact O-N 2.93Å; Q69-D73 VanDerWaalsContact O-OD1 3.14Å; D73-D76 PolarHBondContact O-N 2.88Å; D73-L77 WeakPolarHBondContact O-CB 3.32Å; D73-L77 VanDerWaalsContact O-CG 3.3Å; D73-L77 WeakPolarHBondContact O-CG 3.46Å; D73-L77 PolarHBondContact O-N 2.95Å
74	R	97	Very high	97.5	Very high	92 Å²	92	54 Å²	54	35%	0.347	29%	0.286	S	S	.	.	H	α-helix	trans	-63.8	-42.3	174.4	175.3	169.7	72.4	144.3	1.1	112.6	E18 P19 S70 T72	E18-R74 IonicContact OE1-CZ 3.37Å; E18-R74 IonicContact OE1-NH1 2.88Å; E18-R74 PolarHBondContact OE1-NH1 2.9Å; E18-R74 WeakPolarHBondContact OE2-CD 3.4Å; E18-R74 IonicContact OE2-CZ 3.82Å; E18-R74 IonicContact OE2-NE 2.73Å; E18-R74 IonicContact OE2-NH1 2.72Å; E18-R74 PolarHBondContact OE2-NH1 3.31Å; P19-R74 HydrophobicContact CG-CB 4.37Å; P19-R74 HydrophobicContact CG-CG 4.12Å; S70-R74 PolarHBondContact O-N 3.35Å; T72-R74 PolarHBondContact O-N 2.9Å; T72-R74 VanDerWaalsContact O-N 3.13Å
75	V	97.4	Very high	97.4	Very high	93 Å²	93	54.5 Å²	54.5	56%	0.564	30%	0.299	S	S	*	.	H	α-helix	trans	-71.9	-38.2	177	175.8	0	0	0	0	110.4	Q71 T72 G78 T79	Q71-V75 PolarHBondContact O-N 2.9Å; T72-V75 WeakPolarHBondContact O-CA 3.34Å; T72-V75 PolarHBondContact O-N 2.9Å; V75-G78 PolarHBondContact O-N 3.38Å; V75-T79 WeakPolarHBondContact O-CB 3.31Å; V75-T79 PolarHBondContact O-N 3.01Å; V75-T79 PolarHBondContact O-OG1 3.34Å
76	D	97.9	Very high	97.3	Very high	60 Å²	60	54.6 Å²	54.6	32%	0.321	30%	0.298	S	S	.	.	H	α-helix	trans	-68.2	-38.7	177.6	-72.3	-29.1	0	0	0	111.8	T72 D73 G78 T79 L80 I94	T72-D76 WeakPolarHBondContact CG2-OD2 3.25Å; T72-D76 PolarHBondContact O-N 3.46Å; D73-D76 PolarHBondContact O-N 2.88Å; D76-G78 VanDerWaalsContact C-N 3.29Å; D76-G78 PolarHBondContact O-N 3.44Å; D76-T79 CarbonylContact O-C 3.46Å; D76-T79 WeakPolarHBondContact O-CB 3.49Å; D76-T79 PolarHBondContact O-N 2.94Å; D76-L80 WeakPolarHBondContact O-CB 3.35Å; D76-L80 VanDerWaalsContact O-CG 3.31Å; D76-L80 WeakPolarHBondContact O-CG 3.3Å; D76-L80 PolarHBondContact O-N 3.17Å; D76-I94 HydrophobicContact CB-CD1 3.68Å
77	L	97.6	Very high	97.1	Very high	8 Å²	8	58.3 Å²	58.3	4%	0.042	32%	0.324	C	S	.	.	H	α-helix	trans	-54.8	-43.8	172.8	-85.2	167.2	0	0	0	112	P19 D73 R81 H92 I94 Y117	P19-L77 HydrophobicContact CB-CD1 3.64Å; P19-L77 HydrophobicContact CG-CD1 3.75Å; D73-L77 WeakPolarHBondContact O-CB 3.32Å; D73-L77 VanDerWaalsContact O-CG 3.3Å; D73-L77 WeakPolarHBondContact O-CG 3.46Å; D73-L77 PolarHBondContact O-N 2.95Å; L77-R81 VanDerWaalsContact O-CB 3.29Å; L77-R81 WeakPolarHBondContact O-CB 3.46Å; L77-R81 PolarHBondContact O-N 2.98Å; L77-H92 HydrophobicContact CD2-CB 4.08Å; L77-I94 HydrophobicContact CB-CD1 4.47Å; L77-I94 HydrophobicContact CD2-CD1 4.19Å; L77-I94 HydrophobicContact CD2-CG1 3.88Å; L77-I94 HydrophobicContact CG-CD1 3.87Å; L77-I94 HydrophobicContact CG-CG1 4.09Å; L77-Y117 HydrophobicContact CD2-CE2 4.29Å
78	G	95.8	Very high	96.6	Very high	37 Å²	37	60.9 Å²	60.9	38%	0.381	34%	0.337	S	S	.	.	H	α-helix	trans	-69.9	-34.6	174.9	0	0	0	0	0	113.4	V75 D76 G82	V75-G78 PolarHBondContact O-N 3.38Å; D76-G78 VanDerWaalsContact C-N 3.29Å; D76-G78 PolarHBondContact O-N 3.44Å; G78-G82 PolarHBondContact O-N 3.39Å
79	T	97.3	Very high	96.2	Very high	45 Å²	45	65 Å²	65	28%	0.276	35%	0.351	S	S	.	.	H	α-helix	trans	-70.2	-46.4	179.9	-60.6	0	0	0	0	112	V75 D76 G82 Y83	V75-T79 WeakPolarHBondContact O-CB 3.31Å; V75-T79 PolarHBondContact O-N 3.01Å; V75-T79 PolarHBondContact O-OG1 3.34Å; D76-T79 CarbonylContact O-C 3.46Å; D76-T79 WeakPolarHBondContact O-CB 3.49Å; D76-T79 PolarHBondContact O-N 2.94Å; T79-G82 WeakPolarHBondContact O-CA 3.45Å; T79-G82 PolarHBondContact O-N 3.27Å; T79-Y83 HydrophobicContact CG2-CD1 4.35Å; T79-Y83 HydrophobicContact CG2-CE1 3.71Å; T79-Y83 HydrophobicContact CG2-CE2 4.03Å; T79-Y83 PolarHBondContact O-N 2.98Å
80	L	97.7	Very high	96	Very high	10 Å²	10	63.8 Å²	63.8	5%	0.052	35%	0.35	C	S	.	.	H	α-helix	trans	-65	-46.7	178.1	-64.3	178	0	0	0	111	D76 G82 Y83 Y84 I94 Y117 Y122	D76-L80 WeakPolarHBondContact O-CB 3.35Å; D76-L80 VanDerWaalsContact O-CG 3.31Å; D76-L80 WeakPolarHBondContact O-CG 3.3Å; D76-L80 PolarHBondContact O-N 3.17Å; L80-G82 PolarHBondContact O-N 3.42Å; L80-G82 VanDerWaalsContact O-N 3.14Å; L80-Y83 HydrophobicContact CD2-CD2 4.07Å; L80-Y83 HydrophobicContact CD2-CE2 4.39Å; L80-Y83 PolarHBondContact O-N 2.99Å; L80-Y84 HydrophobicContact CB-CD2 4.45Å; L80-Y84 VanDerWaalsContact O-CD2 3.26Å; L80-Y84 WeakPolarHBondContact O-CD2 3.31Å; L80-Y84 PolarHBondContact O-N 2.02Å; L80-I94 HydrophobicContact CD1-CD1 3.69Å; L80-I94 HydrophobicContact CD1-CG1 3.78Å; L80-Y117 HydrophobicContact CB-CD1 4.29Å; L80-Y117 HydrophobicContact CB-CD2 4.19Å; L80-Y117 HydrophobicContact CB-CE1 3.88Å; L80-Y117 HydrophobicContact CB-CE2 3.79Å; L80-Y117 HydrophobicContact CB-CG 4.42Å; L80-Y117 HydrophobicContact CD1-CD1 4.41Å; L80-Y117 HydrophobicContact CD1-CD2 3.42Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.42Å; L80-Y117 HydrophobicContact CD1-CE2 3.77Å; L80-Y117 HydrophobicContact CD1-CG 3.77Å; L80-Y117 HydrophobicContact CG-CD2 4.44Å; L80-Y117 HydrophobicContact CG-CE2 4.44Å; L80-Y122 HydrophobicContact CD2-CD1 4.47Å; L80-Y122 HydrophobicContact CD2-CD2 4.4Å; L80-Y122 HydrophobicContact CD2-CE1 3.73Å; L80-Y122 HydrophobicContact CD2-CE2 3.64Å; L80-Y122 VanDerWaalsContact CD2-OH 3.27Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.47Å
81	R	96.3	Very high	95.9	Very high	68 Å²	68	66.7 Å²	66.7	26%	0.257	37%	0.369	S	S	.	.	H	α-helix	trans	-51.7	-38.4	172.5	-170.8	-168.6	67.6	162.8	11.7	111.6	L77 N85 Q86 E88 Y117	L77-R81 VanDerWaalsContact O-CB 3.29Å; L77-R81 WeakPolarHBondContact O-CB 3.46Å; L77-R81 PolarHBondContact O-N 2.98Å; R81-N85 PolarHBondContact O-N 3.24Å; R81-N85 VanDerWaalsContact O-N 3.14Å; R81-Q86 HydrophobicContact CG-CB 3.8Å; R81-Q86 PolarHBondContact O-N 2.74Å; R81-E88 IonicContact CZ-OE1 3.13Å; R81-E88 IonicContact NH1-OE1 2.7Å; R81-E88 PolarHBondContact NH1-OE1 3.34Å; R81-E88 IonicContact NH2-OE1 2.78Å; R81-E88 PolarHBondContact NH2-OE1 3.02Å; R81-Y117 PolarHBondContact N-OH 3.49Å
82	G	96.4	Very high	95.9	Very high	45 Å²	45	63 Å²	63	46%	0.464	35%	0.352	S	S	.	.	H	α-helix	trans	-67.2	-48.2	172.4	0	0	0	0	0	114.1	G78 T79 L80 Y84 N85	G78-G82 PolarHBondContact O-N 3.39Å; T79-G82 WeakPolarHBondContact O-CA 3.45Å; T79-G82 PolarHBondContact O-N 3.27Å; L80-G82 PolarHBondContact O-N 3.42Å; L80-G82 VanDerWaalsContact O-N 3.14Å; G82-Y84 VanDerWaalsContact C-N 3.3Å; G82-Y84 PolarHBondContact O-N 2.85Å; G82-N85 PolarHBondContact O-N 2.82Å
83	Y	97.6	Very high	95.9	Very high	53 Å²	53	61.4 Å²	61.4	21%	0.208	34%	0.342	C	S	.	.	H	α-helix	trans	-60	-38.5	177.7	-66	-11.1	0	0	0	112.7	T79 L80 N85 A138 I141 K145	T79-Y83 HydrophobicContact CG2-CD1 4.35Å; T79-Y83 HydrophobicContact CG2-CE1 3.71Å; T79-Y83 HydrophobicContact CG2-CE2 4.03Å; T79-Y83 PolarHBondContact O-N 2.98Å; L80-Y83 HydrophobicContact CD2-CD2 4.07Å; L80-Y83 HydrophobicContact CD2-CE2 4.39Å; L80-Y83 PolarHBondContact O-N 2.99Å; Y83-N85 PolarHBondContact O-ND2 2.83Å; Y83-A138 HydrophobicContact CD2-CB 4.31Å; Y83-I141 HydrophobicContact CD1-CD1 4.11Å; Y83-I141 HydrophobicContact CD2-CD1 4.32Å; Y83-I141 HydrophobicContact CE1-CD1 4.3Å; Y83-I141 HydrophobicContact CE1-CG2 4.08Å; Y83-I141 HydrophobicContact CE2-CB 4.04Å; Y83-I141 HydrophobicContact CE2-CG2 4.14Å; Y83-I141 HydrophobicContact CG-CD1 4.13Å; Y83-K145 PolarHBondContact OH-NZ 3.34Å
84	Y	97.3	Very high	96	Very high	68 Å²	68	61.8 Å²	61.8	27%	0.267	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-1.3	179.5	-69.7	-70.4	0	0	0	114.1	L80 G82 Q86 Y117 Y122 D136 A138	L80-Y84 HydrophobicContact CB-CD2 4.45Å; L80-Y84 VanDerWaalsContact O-CD2 3.26Å; L80-Y84 WeakPolarHBondContact O-CD2 3.31Å; L80-Y84 PolarHBondContact O-N 2.02Å; G82-Y84 VanDerWaalsContact C-N 3.3Å; G82-Y84 PolarHBondContact O-N 2.85Å; Y84-Q86 VanDerWaalsContact C-N 3.27Å; Y84-Q86 PolarHBondContact O-N 2.8Å; Y84-Y117 AromaticContact CD2-CD1 3.71Å; Y84-Y117 HydrophobicContact CD2-CD1 3.71Å; Y84-Y117 AromaticContact CD2-CE1 3.47Å; Y84-Y117 HydrophobicContact CD2-CE1 3.47Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.47Å; Y84-Y117 AromaticContact CE2-CD1 3.45Å; Y84-Y117 HydrophobicContact CE2-CD1 3.45Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.45Å; Y84-Y117 AromaticContact CE2-CE1 3.75Å; Y84-Y117 HydrophobicContact CE2-CE1 3.75Å; Y84-Y117 HydrophobicContact CE2-CG 4.47Å; Y84-Y117 HydrophobicContact CG-CE1 4.43Å; Y84-Y122 HydrophobicContact CE2-CD2 4.38Å; Y84-Y122 HydrophobicContact CE2-CE2 4.12Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.29Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.42Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.44Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D136 VanDerWaalsContact OH-CG 3.28Å; Y84-D136 PolarHBondContact OH-OD1 2.85Å; Y84-D136 PolarHBondContact OH-OD2 3.04Å; Y84-A138 HydrophobicContact CD1-CB 4.25Å; Y84-A138 HydrophobicContact CE1-CB 3.71Å; Y84-A138 HydrophobicContact CE2-CB 4.03Å
85	N	96.1	Very high	96.1	Very high	149 Å²	149	61.3 Å²	61.3	80%	0.797	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	37.8	-178	-53.9	-90.5	0	0	0	113.5	R81 G82 Y83	R81-N85 PolarHBondContact O-N 3.24Å; R81-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-N 2.82Å; Y83-N85 PolarHBondContact O-ND2 2.83Å
86	Q	96.2	Very high	96.1	Very high	62 Å²	62	57.2 Å²	57.2	29%	0.29	32%	0.321	S	S	.	.			trans	-82.9	155	-178.6	-70.5	162.5	-49.6	0	0	112	R81 Y84 H92 Y117 D118	R81-Q86 HydrophobicContact CG-CB 3.8Å; R81-Q86 PolarHBondContact O-N 2.74Å; Y84-Q86 VanDerWaalsContact C-N 3.27Å; Y84-Q86 PolarHBondContact O-N 2.8Å; Q86-H92 PolarHBondContact NE2-CE1 2.86Å; Q86-H92 PolarHBondContact NE2-ND1 2.94Å; Q86-Y117 PolarHBondContact OE1-OH 3.05Å; Q86-D118 PolarHBondContact NE2-OD2 3.36Å; Q86-D118 VanDerWaalsContact NE2-OD2 3.08Å
87	S	92.9	Very high	96.2	Very high	77 Å²	77	55.5 Å²	55.5	54%	0.538	31%	0.311	S	S	.	.			trans	-73.2	155.9	-178	52.8	0	0	0	0	113.3	D89 G90	S87-D89 VanDerWaalsContact C-N 3.32Å; S87-D89 PolarHBondContact O-N 2.89Å; S87-G90 PolarHBondContact O-N 3.34Å
88	E	88.9	Confident	96.2	Very high	134 Å²	134	56.3 Å²	56.3	63%	0.626	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-28.4	-177.9	-60.1	-140	91.9	0	0	114	P14 R81 G90	P14-E88 WeakPolarHBondContact CG-O 3.48Å; R81-E88 IonicContact CZ-OE1 3.13Å; R81-E88 IonicContact NH1-OE1 2.7Å; R81-E88 PolarHBondContact NH1-OE1 3.34Å; R81-E88 IonicContact NH2-OE1 2.78Å; R81-E88 PolarHBondContact NH2-OE1 3.02Å; E88-G90 PolarHBondContact O-N 3.06Å
89	D	89.6	Confident	96.3	Very high	144 Å²	144	54.5 Å²	54.5	77%	0.77	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-4.4	177.4	-51.3	-66.4	0	0	0	113.4	S87	S87-D89 VanDerWaalsContact C-N 3.32Å; S87-D89 PolarHBondContact O-N 2.89Å
90	G	92	Very high	96.4	Very high	15 Å²	15	52.4 Å²	52.4	16%	0.155	28%	0.283	C	S	.	.			trans	-72.1	124.5	179.4	0	0	0	0	0	113.3	S12 P14 S87 E88 H92	S12-G90 PolarHBondContact OG-O 2.97Å; P14-G90 WeakPolarHBondContact CG-O 3.35Å; S87-G90 PolarHBondContact O-N 3.34Å; E88-G90 PolarHBondContact O-N 3.06Å; G90-H92 PolarHBondContact O-CD2 3Å
91	S	96.6	Very high	96.4	Very high	79 Å²	79	52.9 Å²	52.9	55%	0.552	29%	0.286	S	S	*	.			trans	-80.3	117.2	164.5	-174.9	0	0	0	0	108.4	S12	S12-S91 PolarHBondContact O-OG 2.9Å
92	H	98	Very high	96.5	Very high	15 Å²	15	49.7 Å²	49.7	7%	0.069	27%	0.274	C	S	.	.			trans	-121.8	152.4	-174.2	-66.8	-69.6	0	0	0	110.9	V11 S12 L77 Q86 G90 Y117 D118	V11-H92 CarbonylContact C-O 3.43Å; V11-H92 WeakPolarHBondContact CA-O 3.37Å; S12-H92 PolarHBondContact N-O 3.48Å; S12-H92 PolarHBondContact OG-N 2.97Å; L77-H92 HydrophobicContact CD2-CB 4.08Å; Q86-H92 PolarHBondContact NE2-CE1 2.86Å; Q86-H92 PolarHBondContact NE2-ND1 2.94Å; G90-H92 PolarHBondContact O-CD2 3Å; H92-Y117 HydrophobicContact CB-CE2 3.97Å; H92-D118 WeakPolarHBondContact CA-OD1 3.36Å; H92-D118 WeakPolarHBondContact CB-OD1 3.31Å; H92-D118 IonicContact CE1-OD2 3.37Å; H92-D118 IonicContact CG-OD1 2.73Å; H92-D118 IonicContact CG-OD2 3.66Å; H92-D118 IonicContact ND1-OD1 2.69Å; H92-D118 PolarHBondContact ND1-OD1 2.89Å; H92-D118 IonicContact ND1-OD2 3.81Å; H92-D118 PolarHBondContact ND1-OD2 2.85Å
93	T	98.6	Very high	96.5	Very high	34 Å²	34	47.9 Å²	47.9	21%	0.209	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	124.6	-174.9	-55	0	0	0	0	111.8	T9 S10 V11 Q95 Y117 D118	T9-T93 HydrophobicContact CG2-CG2 3.99Å; S10-T93 CarbonylContact O-C 3.58Å; S10-T93 WeakPolarHBondContact O-CA 3.43Å; V11-T93 HydrophobicContact CG2-CG2 4.1Å; T93-Q95 HydrophobicContact CG2-CG 4.01Å; T93-Y117 CarbonylContact O-C 3.59Å; T93-Y117 WeakPolarHBondContact O-CA 3.26Å; T93-Y117 WeakPolarHBondContact O-CD2 3.27Å; T93-D118 PolarHBondContact N-OD1 3.31Å; T93-D118 PolarHBondContact O-N 2.94Å
94	I	98.7	Very high	96.2	Very high	9 Å²	9	51.1 Å²	51.1	5%	0.046	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	136.7	161.8	-67.9	177.2	0	0	0	108.3	T9 S10 D76 L77 L80 I96 A116 Y117	T9-I94 WeakPolarHBondContact CA-O 3.41Å; S10-I94 PolarHBondContact N-O 3.44Å; S10-I94 PolarHBondContact O-N 2.81Å; D76-I94 HydrophobicContact CB-CD1 3.68Å; L77-I94 HydrophobicContact CB-CD1 4.47Å; L77-I94 HydrophobicContact CD2-CD1 4.19Å; L77-I94 HydrophobicContact CD2-CG1 3.88Å; L77-I94 HydrophobicContact CG-CD1 3.87Å; L77-I94 HydrophobicContact CG-CG1 4.09Å; L80-I94 HydrophobicContact CD1-CD1 3.69Å; L80-I94 HydrophobicContact CD1-CG1 3.78Å; I94-I96 HydrophobicContact CG2-CD1 4.19Å; I94-I96 HydrophobicContact CG2-CG1 3.95Å; I94-A116 WeakPolarHBondContact CA-O 3.3Å; I94-Y117 HydrophobicContact CG1-CD2 3.87Å; I94-Y117 HydrophobicContact CG1-CE2 4.26Å
95	Q	98.8	Very high	96	Very high	83 Å²	83	52.2 Å²	52.2	39%	0.388	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.6	169	-68.4	170	-98.9	0	0	109.1	Y8 T9 T93 D115 A116	Y8-Q95 WeakPolarHBondContact O-CA 2.94Å; T9-Q95 HydrophobicContact CG2-CG 4.09Å; T93-Q95 HydrophobicContact CG2-CG 4.01Å; Q95-D115 CarbonylContact O-C 3.56Å; Q95-D115 WeakPolarHBondContact O-CA 3.47Å; Q95-A116 HydrophobicContact CB-CB 4.31Å; Q95-A116 PolarHBondContact N-O 3.03Å; Q95-A116 PolarHBondContact O-N 2.85Å
96	I	98.6	Very high	95.8	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	129.6	179	-58.7	165.2	0	0	0	108	F7 Y8 I94 Y98 Q114	F7-I96 CarbonylContact C-O 3.58Å; F7-I96 WeakPolarHBondContact CA-O 3Å; Y8-I96 PolarHBondContact N-O 2.95Å; Y8-I96 PolarHBondContact O-N 2.88Å; I94-I96 HydrophobicContact CG2-CD1 4.19Å; I94-I96 HydrophobicContact CG2-CG1 3.95Å; I96-Y98 HydrophobicContact CG2-CD1 4.23Å; I96-Q114 CarbonylContact C-O 3.53Å; I96-Q114 WeakPolarHBondContact CA-O 3.16Å
97	M	98.6	Very high	95.8	Very high	25 Å²	25	51.7 Å²	51.7	12%	0.123	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.8	166.9	-174.1	-79.2	-64.8	0	0	109.1	Y6 F7 Y112 R113 Q114	Y6-M97 WeakPolarHBondContact O-CA 3.43Å; F7-M97 HydrophobicContact CD1-CB 3.94Å; F7-M97 HydrophobicContact CD1-CG 3.62Å; F7-M97 HydrophobicContact CE1-CB 4.1Å; F7-M97 HydrophobicContact CE1-CG 3.35Å; F7-M97 HydrophobicContact CG-CG 4.45Å; F7-M97 HydrophobicContact CZ-CG 3.98Å; M97-Y112 HydrophobicContact CE-CD1 4.15Å; M97-Y112 HydrophobicContact CE-CG 4.22Å; M97-R113 CarbonylContact O-C 3.57Å; M97-R113 WeakPolarHBondContact O-CA 3.19Å; M97-Q114 HydrophobicContact CE-CB 4.3Å; M97-Q114 HydrophobicContact CE-CG 4.16Å; M97-Q114 PolarHBondContact N-O 3.08Å; M97-Q114 PolarHBondContact O-N 3.46Å
98	Y	98.6	Very high	96	Very high	24 Å²	24	51.1 Å²	51.1	9%	0.094	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	158.1	169.4	72.9	-87.8	0	0	0	111.4	Y6 Y8 I96 Y112 Y158	Y6-Y98 AromaticContact CD2-CE2 3.78Å; Y6-Y98 HydrophobicContact CD2-CE2 3.78Å; Y6-Y98 AromaticContact CD2-CZ 3.88Å; Y6-Y98 HydrophobicContact CG-CE1 4.31Å; Y6-Y98 HydrophobicContact CG-CE2 4.13Å; Y6-Y98 AromaticContact CG-CZ 3.75Å; Y6-Y98 PolarHBondContact N-O 2.78Å; Y6-Y98 PolarHBondContact O-N 3.22Å; Y8-Y98 HydrophobicContact CD2-CE1 4.17Å; Y8-Y98 HydrophobicContact CE1-CE1 4.36Å; Y8-Y98 AromaticContact CE2-CE1 3.56Å; Y8-Y98 HydrophobicContact CE2-CE1 3.56Å; Y8-Y98 AromaticContact CZ-CE1 3.7Å; Y8-Y98 PolarHBondContact OH-OH 2.69Å; I96-Y98 HydrophobicContact CG2-CD1 4.23Å; Y98-Y112 WeakPolarHBondContact CA-O 3.21Å; Y98-Y112 VanDerWaalsContact CB-O 3.32Å; Y98-Y112 WeakPolarHBondContact CB-O 3.4Å; Y98-Y158 AromaticContact CD2-CE1 3.79Å; Y98-Y158 HydrophobicContact CD2-CE1 3.79Å; Y98-Y158 AromaticContact CE2-CE1 3.61Å; Y98-Y158 HydrophobicContact CE2-CE1 3.61Å; Y98-Y158 AromaticContact CE2-CZ 3.94Å
99	G	98.5	Very high	96.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.3	179.4	-177.6	0	0	0	0	0	113.9	M4 G111 Y112 L159	M4-G99 CarbonylContact O-C 3.59Å; M4-G99 WeakPolarHBondContact O-CA 3.16Å; G99-G111 CarbonylContact O-C 3.57Å; G99-G111 WeakPolarHBondContact O-CA 3.48Å; G99-Y112 PolarHBondContact N-O 3.14Å; G99-Y112 PolarHBondContact O-N 3.2Å; G99-L159 VanDerWaalsContact O-CD2 3.23Å; G99-L159 WeakPolarHBondContact O-CD2 3.13Å
100	C	98.6	Very high	96.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	151.4	-177.1	57.5	0	0	0	0	111.4	S3 M4 F108 R110 C163	S3-C100 WeakPolarHBondContact CA-O 3.34Å; M4-C100 PolarHBondContact N-O 2.8Å; M4-C100 PolarHBondContact O-N 2.7Å; C100-F108 HydrophobicContact CB-CD2 4.35Å; C100-F108 HydrophobicContact CB-CE2 4.03Å; C100-R110 CarbonylContact C-O 3.57Å; C100-R110 WeakPolarHBondContact CA-O 3.11Å; C100-C163 HydrophobicContact CB-CB 3.88Å; C100-C163 WeakPolarHBondContact CB-SG 3.36Å; C100-C163 PolarHBondContact N-SG 3.09Å; C100-C163 WeakPolarHBondContact SG-CB 3.29Å; C100-C163 CovalentContact SG-SG 2.03Å; C100-C163 PolarHBondContact SG-SG 3.42Å
101	D	98.3	Very high	97.1	Very high	21 Å²	21	47 Å²	47	11%	0.112	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	146.7	174.9	-60.9	-4	0	0	0	109.5	H2 S3 R5 L109 R110 Y112	H2-D101 CarbonylContact O-C 3.6Å; H2-D101 WeakPolarHBondContact O-CA 3.43Å; S3-D101 WeakPolarHBondContact CB-OD1 3.37Å; R5-D101 IonicContact CZ-OD1 3.97Å; R5-D101 VanDerWaalsContact CZ-OD1 3.24Å; R5-D101 IonicContact CZ-OD2 3.25Å; R5-D101 IonicContact NE-OD1 2.71Å; R5-D101 PolarHBondContact NE-OD1 2.91Å; R5-D101 IonicContact NH2-OD1 3.57Å; R5-D101 PolarHBondContact NH2-OD1 3.23Å; R5-D101 IonicContact NH2-OD2 2.73Å; R5-D101 PolarHBondContact NH2-OD2 3.07Å; D101-L109 HydrophobicContact CB-CB 4.36Å; D101-L109 HydrophobicContact CB-CD2 4.23Å; D101-L109 WeakPolarHBondContact O-CB 3.37Å; D101-L109 PolarHBondContact O-N 2.81Å; D101-R110 HydrophobicContact CB-CB 4.44Å; D101-R110 PolarHBondContact N-O 3.07Å; D101-R110 PolarHBondContact O-N 2.96Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.42Å; D101-Y112 PolarHBondContact OD2-OH 3.04Å; D101-Y112 VanDerWaalsContact OD2-OH 3.14Å
102	V	98.1	Very high	97.2	Very high	1 Å²	1	45 Å²	45	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.5	176.8	-62.4	0	0	0	0	112.3	S1 H2 R107 V164 L167	S1-V102 WeakPolarHBondContact CB-O 3.45Å; H2-V102 HydrophobicContact CB-CG2 3.96Å; H2-V102 PolarHBondContact N-O 2.92Å; H2-V102 VanDerWaalsContact N-O 3.08Å; H2-V102 PolarHBondContact O-N 3.31Å; V102-R107 CarbonylContact C-O 3.59Å; V102-R107 WeakPolarHBondContact CA-O 3.45Å; V102-R107 VanDerWaalsContact CB-O 3.32Å; V102-R107 WeakPolarHBondContact CB-O 3.35Å; V102-V164 HydrophobicContact CG1-CB 4.48Å; V102-V164 HydrophobicContact CG1-CG1 3.98Å; V102-V164 HydrophobicContact CG1-CG2 4.06Å; V102-L167 HydrophobicContact CB-CD2 4.45Å; V102-L167 HydrophobicContact CG1-CD2 4Å; V102-L167 HydrophobicContact CG2-CD2 3.74Å; V102-L167 HydrophobicContact CG2-CG 4.3Å
103	G	95.9	Very high	97.2	Very high	6 Å²	6	45.1 Å²	45.1	6%	0.062	23%	0.225	C	C	.	.			trans	-68.6	176.7	174.3	0	0	0	0	0	113.1	D105 A106 R107	G103-D105 PolarHBondContact O-N 3.04Å; G103-A106 WeakPolarHBondContact O-CA 3.34Å; G103-A106 PolarHBondContact O-N 3.3Å; G103-R107 PolarHBondContact N-O 3.25Å
104	P	92.3	Very high	97.2	Very high	122 Å²	122	47.5 Å²	47.5	79%	0.792	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.8	176.3	-22.7	34.7	0	0	0	114.3	A106	P104-A106 VanDerWaalsContact C-N 3.26Å
105	D	92.5	Very high	97.2	Very high	91 Å²	91	48 Å²	48	49%	0.487	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	12.9	172.5	71	-15.3	0	0	0	113.2	G103 R107	G103-D105 PolarHBondContact O-N 3.04Å; D105-R107 PolarHBondContact O-N 2.61Å; D105-R107 VanDerWaalsContact O-N 3.13Å; D105-R107 WeakPolarHBondContact OD1-CB 3.45Å; D105-R107 PolarHBondContact OD1-N 3.41Å; D105-R107 VanDerWaalsContact OD1-N 3.12Å; D105-R107 WeakPolarHBondContact OD2-CD 3.22Å; D105-R107 VanDerWaalsContact OD2-CG 3.32Å; D105-R107 WeakPolarHBondContact OD2-CG 3.45Å; D105-R107 IonicContact OD2-CZ 2.71Å; D105-R107 IonicContact OD2-NE 3.5Å; D105-R107 PolarHBondContact OD2-NE 2.91Å; D105-R107 IonicContact OD2-NH1 3.52Å; D105-R107 IonicContact OD2-NH2 3.83Å
106	A	91.6	Very high	97.2	Very high	32 Å²	32	45 Å²	45	26%	0.264	23%	0.226	S	C	.	.	S	Bend	trans	54.5	21.6	-175.5	0	0	0	0	0	115	G103 P104 R168	G103-A106 WeakPolarHBondContact O-CA 3.34Å; G103-A106 PolarHBondContact O-N 3.3Å; P104-A106 VanDerWaalsContact C-N 3.26Å; A106-R168 HydrophobicContact CB-CG 4.13Å; A106-R168 VanDerWaalsContact O-CZ 3.25Å; A106-R168 PolarHBondContact O-NE 3.25Å; A106-R168 PolarHBondContact O-NH2 3.37Å
107	R	95.9	Very high	97.2	Very high	168 Å²	168	45.2 Å²	45.2	63%	0.634	23%	0.226	S	C	*	.			trans	-86.1	152.2	172.4	-62.9	-175.4	-164.9	160.4	6.4	111.5	V102 G103 D105 L109	V102-R107 CarbonylContact C-O 3.59Å; V102-R107 WeakPolarHBondContact CA-O 3.45Å; V102-R107 VanDerWaalsContact CB-O 3.32Å; V102-R107 WeakPolarHBondContact CB-O 3.35Å; G103-R107 PolarHBondContact N-O 3.25Å; D105-R107 PolarHBondContact O-N 2.61Å; D105-R107 VanDerWaalsContact O-N 3.13Å; D105-R107 WeakPolarHBondContact OD1-CB 3.45Å; D105-R107 PolarHBondContact OD1-N 3.41Å; D105-R107 VanDerWaalsContact OD1-N 3.12Å; D105-R107 WeakPolarHBondContact OD2-CD 3.22Å; D105-R107 VanDerWaalsContact OD2-CG 3.32Å; D105-R107 WeakPolarHBondContact OD2-CG 3.45Å; D105-R107 IonicContact OD2-CZ 2.71Å; D105-R107 IonicContact OD2-NE 3.5Å; D105-R107 PolarHBondContact OD2-NE 2.91Å; D105-R107 IonicContact OD2-NH1 3.52Å; D105-R107 IonicContact OD2-NH2 3.83Å; R107-L109 PolarHBondContact O-N 3.18Å
108	F	98	Very high	97.1	Very high	65 Å²	65	46.7 Å²	46.7	29%	0.285	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	125.1	175.2	-176.3	-103.5	0	0	0	111.2	C100 R110 G111 L129 L159 E160 V164	C100-F108 HydrophobicContact CB-CD2 4.35Å; C100-F108 HydrophobicContact CB-CE2 4.03Å; F108-R110 VanDerWaalsContact CE2-C 3.48Å; F108-R110 VanDerWaalsContact CE2-O 3.26Å; F108-R110 WeakPolarHBondContact CE2-O 3.37Å; F108-G111 VanDerWaalsContact CZ-N 3.3Å; F108-L129 HydrophobicContact CE1-CD1 3.88Å; F108-L129 HydrophobicContact CZ-CD1 3.65Å; F108-L159 WeakPolarHBondContact CD2-O 3.42Å; F108-L159 HydrophobicContact CE2-CB 4.42Å; F108-L159 VanDerWaalsContact CE2-O 3.26Å; F108-L159 WeakPolarHBondContact CE2-O 3.4Å; F108-E160 HydrophobicContact CD1-CG 4.17Å; F108-E160 HydrophobicContact CE1-CG 3.92Å; F108-E160 HydrophobicContact CE2-CG 4.43Å; F108-E160 HydrophobicContact CZ-CG 4.04Å; F108-V164 HydrophobicContact CB-CG2 4.02Å; F108-V164 HydrophobicContact CD2-CG2 3.65Å; F108-V164 HydrophobicContact CG-CG2 4.32Å
109	L	97.4	Very high	97.1	Very high	117 Å²	117	48.4 Å²	48.4	61%	0.613	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	-50.1	176	-173.2	96.2	0	0	0	110.6	D101 R107	D101-L109 HydrophobicContact CB-CB 4.36Å; D101-L109 HydrophobicContact CB-CD2 4.23Å; D101-L109 WeakPolarHBondContact O-CB 3.37Å; D101-L109 PolarHBondContact O-N 2.81Å; R107-L109 PolarHBondContact O-N 3.18Å
110	R	97.4	Very high	97.1	Very high	83 Å²	83	56 Å²	56	31%	0.313	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	152	-171.8	-171.9	165	169.4	132.1	3.3	111.1	C100 D101 F108 Y112 E127	C100-R110 CarbonylContact C-O 3.57Å; C100-R110 WeakPolarHBondContact CA-O 3.11Å; D101-R110 HydrophobicContact CB-CB 4.44Å; D101-R110 PolarHBondContact N-O 3.07Å; D101-R110 PolarHBondContact O-N 2.96Å; F108-R110 VanDerWaalsContact CE2-C 3.48Å; F108-R110 VanDerWaalsContact CE2-O 3.26Å; F108-R110 WeakPolarHBondContact CE2-O 3.37Å; R110-Y112 HydrophobicContact CB-CE2 4.19Å; R110-Y112 VanDerWaalsContact CD-OH 3.26Å; R110-Y112 WeakPolarHBondContact CD-OH 3.29Å; R110-Y112 HydrophobicContact CG-CD2 4.46Å; R110-Y112 HydrophobicContact CG-CE1 4.46Å; R110-Y112 HydrophobicContact CG-CE2 3.77Å; R110-Y112 PolarHBondContact NE-OH 3.38Å; R110-E127 VanDerWaalsContact CZ-CD 3.4Å; R110-E127 IonicContact CZ-OE1 3.99Å; R110-E127 IonicContact CZ-OE2 2.8Å; R110-E127 IonicContact NH1-OE1 3.06Å; R110-E127 PolarHBondContact NH1-OE1 3.07Å; R110-E127 IonicContact NH1-OE2 3.76Å; R110-E127 PolarHBondContact NH1-OE2 3.03Å; R110-E127 VanDerWaalsContact NH2-CD 3.26Å; R110-E127 IonicContact NH2-OE1 3.67Å; R110-E127 PolarHBondContact NH2-OE1 2.93Å
111	G	97.9	Very high	97.1	Very high	5 Å²	5	62.3 Å²	62.3	5%	0.052	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	153.2	175.2	0	0	0	0	0	111	G99 F108	G99-G111 CarbonylContact O-C 3.57Å; G99-G111 WeakPolarHBondContact O-CA 3.48Å; F108-G111 VanDerWaalsContact CZ-N 3.3Å
112	Y	98.1	Very high	97.1	Very high	38 Å²	38	61.8 Å²	61.8	15%	0.149	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	139.8	-176.3	-56.3	-100.9	0	0	0	110.3	R5 M97 Y98 G99 D101 R110	R5-Y112 VanDerWaalsContact NH2-CE2 3.29Å; R5-Y112 PolarHBondContact NH2-OH 3.36Å; M97-Y112 HydrophobicContact CE-CD1 4.15Å; M97-Y112 HydrophobicContact CE-CG 4.22Å; Y98-Y112 WeakPolarHBondContact CA-O 3.21Å; Y98-Y112 VanDerWaalsContact CB-O 3.32Å; Y98-Y112 WeakPolarHBondContact CB-O 3.4Å; G99-Y112 PolarHBondContact N-O 3.14Å; G99-Y112 PolarHBondContact O-N 3.2Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.42Å; D101-Y112 PolarHBondContact OD2-OH 3.04Å; D101-Y112 VanDerWaalsContact OD2-OH 3.14Å; R110-Y112 HydrophobicContact CB-CE2 4.19Å; R110-Y112 VanDerWaalsContact CD-OH 3.26Å; R110-Y112 WeakPolarHBondContact CD-OH 3.29Å; R110-Y112 HydrophobicContact CG-CD2 4.46Å; R110-Y112 HydrophobicContact CG-CE1 4.46Å; R110-Y112 HydrophobicContact CG-CE2 3.77Å; R110-Y112 PolarHBondContact NE-OH 3.38Å
113	R	98.2	Very high	97.1	Very high	18 Å²	18	62 Å²	62	7%	0.068	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	117.5	159.4	173	63.8	-171.5	-138.3	4.2	107	M97 D115 L125 W132	M97-R113 CarbonylContact O-C 3.57Å; M97-R113 WeakPolarHBondContact O-CA 3.19Å; R113-D115 WeakPolarHBondContact CD-OD1 3.37Å; R113-D115 IonicContact CZ-OD1 2.8Å; R113-D115 IonicContact CZ-OD2 3.7Å; R113-D115 IonicContact NE-OD1 3.62Å; R113-D115 PolarHBondContact NE-OD1 3.18Å; R113-D115 IonicContact NE-OD2 3.53Å; R113-D115 IonicContact NH2-OD1 2.8Å; R113-D115 PolarHBondContact NH2-OD1 2.97Å; R113-D115 IonicContact NH2-OD2 3.4Å; R113-D115 PolarHBondContact NH2-OD2 3.12Å; R113-L125 HydrophobicContact CB-CB 3.93Å; R113-L125 HydrophobicContact CB-CD2 4.21Å; R113-L125 PolarHBondContact O-N 3.23Å; R113-W132 HydrophobicContact CG-CH2 4.18Å; R113-W132 HydrophobicContact CG-CZ3 4.13Å
114	Q	98.3	Very high	97.3	Very high	84 Å²	84	63 Å²	63	39%	0.393	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	128.6	-175.6	-66.5	177.2	-14.9	0	0	108.7	I96 M97 A124	I96-Q114 CarbonylContact C-O 3.53Å; I96-Q114 WeakPolarHBondContact CA-O 3.16Å; M97-Q114 HydrophobicContact CE-CB 4.3Å; M97-Q114 HydrophobicContact CE-CG 4.16Å; M97-Q114 PolarHBondContact N-O 3.08Å; M97-Q114 PolarHBondContact O-N 3.46Å; Q114-A124 HydrophobicContact CG-CB 4.03Å
115	D	98.6	Very high	97.6	Very high	18 Å²	18	57.8 Å²	57.8	10%	0.096	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.1	-176.1	-61.4	49.4	0	0	0	107.7	Q95 R113 Y122 I123	Q95-D115 CarbonylContact O-C 3.56Å; Q95-D115 WeakPolarHBondContact O-CA 3.47Å; R113-D115 WeakPolarHBondContact CD-OD1 3.37Å; R113-D115 IonicContact CZ-OD1 2.8Å; R113-D115 IonicContact CZ-OD2 3.7Å; R113-D115 IonicContact NE-OD1 3.62Å; R113-D115 PolarHBondContact NE-OD1 3.18Å; R113-D115 IonicContact NE-OD2 3.53Å; R113-D115 IonicContact NH2-OD1 2.8Å; R113-D115 PolarHBondContact NH2-OD1 2.97Å; R113-D115 IonicContact NH2-OD2 3.4Å; R113-D115 PolarHBondContact NH2-OD2 3.12Å; D115-Y122 WeakPolarHBondContact O-CA 2.81Å; D115-Y122 WeakPolarHBondContact O-CB 3.25Å; D115-Y122 PolarHBondContact O-N 3.46Å; D115-I123 HydrophobicContact CB-CG2 3.95Å; D115-I123 PolarHBondContact N-O 2.87Å; D115-I123 PolarHBondContact O-N 2.75Å
116	A	98.8	Very high	97.8	Very high	21 Å²	21	55.6 Å²	55.6	17%	0.174	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	149.6	-174.6	0	0	0	0	0	110.8	I94 Q95 K120	I94-A116 WeakPolarHBondContact CA-O 3.3Å; Q95-A116 HydrophobicContact CB-CB 4.31Å; Q95-A116 PolarHBondContact N-O 3.03Å; Q95-A116 PolarHBondContact O-N 2.85Å; A116-K120 CarbonylContact C-O 3.54Å; A116-K120 WeakPolarHBondContact CA-O 3.41Å; A116-K120 WeakPolarHBondContact CB-O 3.38Å
117	Y	98.7	Very high	98.1	Very high	10 Å²	10	60.8 Å²	60.8	4%	0.039	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	132.8	-178.2	-171.4	-121.7	0	0	0	111.3	L77 L80 R81 Y84 Q86 H92 T93 I94 G119 K120	L77-Y117 HydrophobicContact CD2-CE2 4.29Å; L80-Y117 HydrophobicContact CB-CD1 4.29Å; L80-Y117 HydrophobicContact CB-CD2 4.19Å; L80-Y117 HydrophobicContact CB-CE1 3.88Å; L80-Y117 HydrophobicContact CB-CE2 3.79Å; L80-Y117 HydrophobicContact CB-CG 4.42Å; L80-Y117 HydrophobicContact CD1-CD1 4.41Å; L80-Y117 HydrophobicContact CD1-CD2 3.42Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.42Å; L80-Y117 HydrophobicContact CD1-CE2 3.77Å; L80-Y117 HydrophobicContact CD1-CG 3.77Å; L80-Y117 HydrophobicContact CG-CD2 4.44Å; L80-Y117 HydrophobicContact CG-CE2 4.44Å; R81-Y117 PolarHBondContact N-OH 3.49Å; Y84-Y117 AromaticContact CD2-CD1 3.71Å; Y84-Y117 HydrophobicContact CD2-CD1 3.71Å; Y84-Y117 AromaticContact CD2-CE1 3.47Å; Y84-Y117 HydrophobicContact CD2-CE1 3.47Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.47Å; Y84-Y117 AromaticContact CE2-CD1 3.45Å; Y84-Y117 HydrophobicContact CE2-CD1 3.45Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.45Å; Y84-Y117 AromaticContact CE2-CE1 3.75Å; Y84-Y117 HydrophobicContact CE2-CE1 3.75Å; Y84-Y117 HydrophobicContact CE2-CG 4.47Å; Y84-Y117 HydrophobicContact CG-CE1 4.43Å; Q86-Y117 PolarHBondContact OE1-OH 3.05Å; H92-Y117 HydrophobicContact CB-CE2 3.97Å; T93-Y117 CarbonylContact O-C 3.59Å; T93-Y117 WeakPolarHBondContact O-CA 3.26Å; T93-Y117 WeakPolarHBondContact O-CD2 3.27Å; I94-Y117 HydrophobicContact CG1-CD2 3.87Å; I94-Y117 HydrophobicContact CG1-CE2 4.26Å; Y117-G119 PolarHBondContact O-N 3.23Å; Y117-G119 VanDerWaalsContact O-N 3.12Å; Y117-K120 PolarHBondContact N-O 3.08Å; Y117-K120 PolarHBondContact O-N 2.79Å
118	D	98.1	Very high	98.2	Very high	57 Å²	57	56.2 Å²	56.2	31%	0.305	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	40.6	-176.4	-66.8	-17.3	0	0	0	113.3	Q86 H92 T93	Q86-D118 PolarHBondContact NE2-OD2 3.36Å; Q86-D118 VanDerWaalsContact NE2-OD2 3.08Å; H92-D118 WeakPolarHBondContact CA-OD1 3.36Å; H92-D118 WeakPolarHBondContact CB-OD1 3.31Å; H92-D118 IonicContact CE1-OD2 3.37Å; H92-D118 IonicContact CG-OD1 2.73Å; H92-D118 IonicContact CG-OD2 3.66Å; H92-D118 IonicContact ND1-OD1 2.69Å; H92-D118 PolarHBondContact ND1-OD1 2.89Å; H92-D118 IonicContact ND1-OD2 3.81Å; H92-D118 PolarHBondContact ND1-OD2 2.85Å; T93-D118 PolarHBondContact N-OD1 3.31Å; T93-D118 PolarHBondContact O-N 2.94Å
119	G	97.4	Very high	98.2	Very high	59 Å²	59	53.5 Å²	53.5	61%	0.608	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	15.3	178.9	0	0	0	0	0	115.6	Y117	Y117-G119 PolarHBondContact O-N 3.23Å; Y117-G119 VanDerWaalsContact O-N 3.12Å
120	K	98.3	Very high	98.2	Very high	160 Å²	160	55.7 Å²	55.7	70%	0.696	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.6	148.8	178.6	-60.8	173.1	-174	169.8	0	111	A116 Y117 Y122	A116-K120 CarbonylContact C-O 3.54Å; A116-K120 WeakPolarHBondContact CA-O 3.41Å; A116-K120 WeakPolarHBondContact CB-O 3.38Å; Y117-K120 PolarHBondContact N-O 3.08Å; Y117-K120 PolarHBondContact O-N 2.79Å; K120-Y122 PolarHBondContact O-N 2.65Å
121	D	98.6	Very high	98.2	Very high	133 Å²	133	53.5 Å²	53.5	71%	0.711	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.7	135.3	172.8	-61.5	-34	0	0	0	111	A135	D121-A135 HydrophobicContact CB-CB 4.25Å; D121-A135 WeakPolarHBondContact O-CB 3.42Å
122	Y	98.7	Very high	98.2	Very high	10 Å²	10	53.5 Å²	53.5	4%	0.039	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-63.2	176.5	-180	-109.1	0	0	0	110.2	L80 Y84 D115 K120 A135 A138 A139 T142	L80-Y122 HydrophobicContact CD2-CD1 4.47Å; L80-Y122 HydrophobicContact CD2-CD2 4.4Å; L80-Y122 HydrophobicContact CD2-CE1 3.73Å; L80-Y122 HydrophobicContact CD2-CE2 3.64Å; L80-Y122 VanDerWaalsContact CD2-OH 3.27Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.47Å; Y84-Y122 HydrophobicContact CE2-CD2 4.38Å; Y84-Y122 HydrophobicContact CE2-CE2 4.12Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.29Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.42Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.44Å; D115-Y122 WeakPolarHBondContact O-CA 2.81Å; D115-Y122 WeakPolarHBondContact O-CB 3.25Å; D115-Y122 PolarHBondContact O-N 3.46Å; K120-Y122 PolarHBondContact O-N 2.65Å; Y122-A135 PolarHBondContact O-N 3.18Å; Y122-A138 HydrophobicContact CE2-CB 4.37Å; Y122-A138 PolarHBondContact OH-O 2.8Å; Y122-A139 HydrophobicContact CD2-CB 3.77Å; Y122-A139 HydrophobicContact CE1-CB 4.47Å; Y122-A139 VanDerWaalsContact CE2-CA 3.46Å; Y122-A139 HydrophobicContact CE2-CB 3.63Å; Y122-A139 HydrophobicContact CG-CB 4.24Å; Y122-A139 WeakPolarHBondContact O-CB 3.03Å; Y122-T142 HydrophobicContact CE1-CG2 4.17Å; Y122-T142 WeakPolarHBondContact OH-CB 3.43Å; Y122-T142 PolarHBondContact OH-OG1 3.38Å
123	I	98.7	Very high	98.2	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	141.2	177.3	-164.1	173.5	0	0	0	111.5	D115 W132 T133 A134 T142 K143 W146	D115-I123 HydrophobicContact CB-CG2 3.95Å; D115-I123 PolarHBondContact N-O 2.87Å; D115-I123 PolarHBondContact O-N 2.75Å; I123-W132 HydrophobicContact CD1-CB 4.07Å; I123-W132 HydrophobicContact CD1-CD2 4.4Å; I123-W132 HydrophobicContact CD1-CE3 4.25Å; I123-W132 HydrophobicContact CD1-CG 4.35Å; I123-W132 HydrophobicContact CG1-CB 4.23Å; I123-W132 HydrophobicContact CG1-CE3 4.12Å; I123-T133 CarbonylContact C-O 3.55Å; I123-T133 WeakPolarHBondContact CA-O 3.26Å; I123-T133 WeakPolarHBondContact CG1-O 3.34Å; I123-A134 HydrophobicContact CG1-CB 4.4Å; I123-T142 HydrophobicContact CD1-CG2 4.15Å; I123-T142 HydrophobicContact CG2-CG2 4.47Å; I123-K143 HydrophobicContact CD1-CB 3.8Å; I123-W146 HydrophobicContact CD1-CE3 3.96Å; I123-W146 HydrophobicContact CD1-CZ3 4.25Å; I123-W146 HydrophobicContact CG2-CE3 4.36Å; I123-W146 HydrophobicContact CG2-CH2 3.96Å; I123-W146 HydrophobicContact CG2-CZ3 3.62Å
124	A	98.8	Very high	98.2	Very high	27 Å²	27	55.1 Å²	55.1	22%	0.223	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	140.9	179.4	0	0	0	0	0	111.5	Q114 W132 T133	Q114-A124 HydrophobicContact CG-CB 4.03Å; A124-W132 CarbonylContact O-C 3.6Å; A124-W132 WeakPolarHBondContact O-CA 3.38Å; A124-T133 PolarHBondContact N-O 3.25Å; A124-T133 PolarHBondContact O-N 2.87Å
125	L	98.7	Very high	98.2	Very high	13 Å²	13	54.2 Å²	54.2	7%	0.068	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	129.3	167.2	-175	63.4	0	0	0	108.6	R113 L129 W132 A152 Q155 L159	R113-L125 HydrophobicContact CB-CB 3.93Å; R113-L125 HydrophobicContact CB-CD2 4.21Å; R113-L125 PolarHBondContact O-N 3.23Å; L125-L129 HydrophobicContact CD2-CD2 3.81Å; L125-L129 HydrophobicContact CG-CD2 4.27Å; L125-W132 HydrophobicContact CB-CE3 3.94Å; L125-W132 HydrophobicContact CB-CH2 4.1Å; L125-W132 HydrophobicContact CB-CZ3 3.61Å; L125-W132 HydrophobicContact CD1-CD2 4.14Å; L125-W132 HydrophobicContact CD1-CE3 4.22Å; L125-W132 HydrophobicContact CD1-CH2 4.06Å; L125-W132 HydrophobicContact CD1-CZ2 3.97Å; L125-W132 HydrophobicContact CD1-CZ3 4.18Å; L125-W132 HydrophobicContact CG-CZ3 4.44Å; L125-A152 HydrophobicContact CD1-CB 4.03Å; L125-Q155 HydrophobicContact CD2-CB 3.98Å; L125-L159 HydrophobicContact CD2-CD1 3.9Å
126	N	98.4	Very high	98.2	Very high	45 Å²	45	56 Å²	56	24%	0.241	31%	0.311	C	S	.	.			trans	-75.4	165.4	179.8	-67.2	-27.4	0	0	0	111.7	D128 L129 S131 T133	N126-D128 PolarHBondContact O-N 3.45Å; N126-D128 VanDerWaalsContact O-N 3.07Å; N126-L129 PolarHBondContact O-N 3.45Å; N126-S131 VanDerWaalsContact CB-O 3.32Å; N126-S131 WeakPolarHBondContact CB-O 3.37Å; N126-S131 PolarHBondContact N-O 3.14Å; N126-S131 PolarHBondContact ND2-O 3.48Å; N126-S131 PolarHBondContact ND2-OG 2.88Å; N126-T133 PolarHBondContact ND2-OG1 2.91Å; N126-T133 WeakPolarHBondContact OD1-CB 3.32Å; N126-T133 PolarHBondContact OD1-OG1 2.66Å
127	E	97.3	Very high	98.2	Very high	141 Å²	141	62.1 Å²	62.1	66%	0.659	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.8	-178	-50.6	-168.9	-179.5	0	0	113.7	R110 L129	R110-E127 VanDerWaalsContact CZ-CD 3.4Å; R110-E127 IonicContact CZ-OE1 3.99Å; R110-E127 IonicContact CZ-OE2 2.8Å; R110-E127 IonicContact NH1-OE1 3.06Å; R110-E127 PolarHBondContact NH1-OE1 3.07Å; R110-E127 IonicContact NH1-OE2 3.76Å; R110-E127 PolarHBondContact NH1-OE2 3.03Å; R110-E127 VanDerWaalsContact NH2-CD 3.26Å; R110-E127 IonicContact NH2-OE1 3.67Å; R110-E127 PolarHBondContact NH2-OE1 2.93Å; E127-L129 PolarHBondContact O-N 3.3Å
128	D	97.2	Very high	98.1	Very high	73 Å²	73	62 Å²	62	39%	0.39	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-10.8	173.1	69.7	1.4	0	0	0	114	N126 R130 S131	N126-D128 PolarHBondContact O-N 3.45Å; N126-D128 VanDerWaalsContact O-N 3.07Å; D128-R130 HydrophobicContact CB-CB 4.46Å; D128-R130 WeakPolarHBondContact O-CD 3.38Å; D128-R130 VanDerWaalsContact O-CG 3.29Å; D128-R130 WeakPolarHBondContact O-CG 3.45Å; D128-R130 PolarHBondContact O-N 3.2Å; D128-R130 PolarHBondContact OD1-N 2.83Å; D128-S131 VanDerWaalsContact CG-OG 3.29Å; D128-S131 PolarHBondContact OD1-N 3.28Å; D128-S131 PolarHBondContact OD1-OG 3.2Å; D128-S131 WeakPolarHBondContact OD2-CB 3.39Å; D128-S131 PolarHBondContact OD2-N 2.85Å; D128-S131 PolarHBondContact OD2-OG 2.85Å
129	L	97.9	Very high	98.1	Very high	7 Å²	7	59.3 Å²	59.3	4%	0.037	32%	0.324	C	S	.	.	S	Bend	trans	52.9	29.4	-173.6	-51.6	175.4	0	0	0	113.6	F108 L125 N126 E127 R156 L159 E160	F108-L129 HydrophobicContact CE1-CD1 3.88Å; F108-L129 HydrophobicContact CZ-CD1 3.65Å; L125-L129 HydrophobicContact CD2-CD2 3.81Å; L125-L129 HydrophobicContact CG-CD2 4.27Å; N126-L129 PolarHBondContact O-N 3.45Å; E127-L129 PolarHBondContact O-N 3.3Å; L129-R156 HydrophobicContact CB-CB 3.99Å; L129-R156 HydrophobicContact CB-CG 3.74Å; L129-R156 HydrophobicContact CD1-CG 4.1Å; L129-R156 WeakPolarHBondContact O-CD 3.41Å; L129-L159 HydrophobicContact CD2-CD1 4.13Å; L129-E160 HydrophobicContact CD1-CG 3.96Å
130	R	97.4	Very high	98.2	Very high	164 Å²	164	59.2 Å²	59.2	62%	0.619	31%	0.308	S	S	*	.	S	Bend	trans	-135.4	-34.4	-173	-70.7	162.2	-175.9	-84.8	3.8	112.8	D128 A152	D128-R130 HydrophobicContact CB-CB 4.46Å; D128-R130 WeakPolarHBondContact O-CD 3.38Å; D128-R130 VanDerWaalsContact O-CG 3.29Å; D128-R130 WeakPolarHBondContact O-CG 3.45Å; D128-R130 PolarHBondContact O-N 3.2Å; D128-R130 PolarHBondContact OD1-N 2.83Å; R130-A152 WeakPolarHBondContact O-CB 3.25Å
131	S	97.6	Very high	98.1	Very high	37 Å²	37	54.6 Å²	54.6	26%	0.259	29%	0.29	S	S	.	.			trans	-114.9	157	-178	65.8	0	0	0	0	112.1	N126 D128	N126-S131 VanDerWaalsContact CB-O 3.32Å; N126-S131 WeakPolarHBondContact CB-O 3.37Å; N126-S131 PolarHBondContact N-O 3.14Å; N126-S131 PolarHBondContact ND2-O 3.48Å; N126-S131 PolarHBondContact ND2-OG 2.88Å; D128-S131 VanDerWaalsContact CG-OG 3.29Å; D128-S131 PolarHBondContact OD1-N 3.28Å; D128-S131 PolarHBondContact OD1-OG 3.2Å; D128-S131 WeakPolarHBondContact OD2-CB 3.39Å; D128-S131 PolarHBondContact OD2-N 2.85Å; D128-S131 PolarHBondContact OD2-OG 2.85Å
132	W	98.6	Very high	98.1	Very high	4 Å²	4	49 Å²	49	2%	0.015	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	138.7	-178.4	-60.7	94.3	0	0	0	111.4	R113 I123 A124 L125 K143 W146 A151 A152 Q155	R113-W132 HydrophobicContact CG-CH2 4.18Å; R113-W132 HydrophobicContact CG-CZ3 4.13Å; I123-W132 HydrophobicContact CD1-CB 4.07Å; I123-W132 HydrophobicContact CD1-CD2 4.4Å; I123-W132 HydrophobicContact CD1-CE3 4.25Å; I123-W132 HydrophobicContact CD1-CG 4.35Å; I123-W132 HydrophobicContact CG1-CB 4.23Å; I123-W132 HydrophobicContact CG1-CE3 4.12Å; A124-W132 CarbonylContact O-C 3.6Å; A124-W132 WeakPolarHBondContact O-CA 3.38Å; L125-W132 HydrophobicContact CB-CE3 3.94Å; L125-W132 HydrophobicContact CB-CH2 4.1Å; L125-W132 HydrophobicContact CB-CZ3 3.61Å; L125-W132 HydrophobicContact CD1-CD2 4.14Å; L125-W132 HydrophobicContact CD1-CE3 4.22Å; L125-W132 HydrophobicContact CD1-CH2 4.06Å; L125-W132 HydrophobicContact CD1-CZ2 3.97Å; L125-W132 HydrophobicContact CD1-CZ3 4.18Å; L125-W132 HydrophobicContact CG-CZ3 4.44Å; W132-K143 HydrophobicContact CB-CD 4.21Å; W132-K143 HydrophobicContact CB-CG 4.15Å; W132-K143 VanDerWaalsContact O-CE 3.25Å; W132-K143 WeakPolarHBondContact O-CE 3.36Å; W132-K143 PolarHBondContact O-NZ 3.14Å; W132-W146 AromaticContact CD2-CE3 3.94Å; W132-W146 HydrophobicContact CD2-CE3 3.94Å; W132-W146 AromaticContact CE2-CE3 3.84Å; W132-W146 AromaticContact CE3-CE3 3.81Å; W132-W146 HydrophobicContact CE3-CE3 3.81Å; W132-W146 AromaticContact CE3-CZ3 3.92Å; W132-W146 HydrophobicContact CE3-CZ3 3.92Å; W132-W146 AromaticContact CH2-CE3 3.52Å; W132-W146 HydrophobicContact CH2-CE3 3.52Å; W132-W146 AromaticContact CH2-CZ3 3.57Å; W132-W146 HydrophobicContact CH2-CZ3 3.57Å; W132-W146 HydrophobicContact CZ2-CD2 4.5Å; W132-W146 AromaticContact CZ2-CE3 3.65Å; W132-W146 HydrophobicContact CZ2-CE3 3.65Å; W132-W146 HydrophobicContact CZ2-CZ3 4.19Å; W132-W146 AromaticContact CZ3-CE3 3.61Å; W132-W146 HydrophobicContact CZ3-CE3 3.61Å; W132-W146 AromaticContact CZ3-CZ3 3.41Å; W132-W146 HydrophobicContact CZ3-CZ3 3.41Å; W132-W146 VanDerWaalsContact CZ3-CZ3 3.41Å; W132-A151 HydrophobicContact CZ2-CB 4.33Å; W132-A152 HydrophobicContact CZ2-CB 4.28Å; W132-Q155 HydrophobicContact CH2-CG 4.15Å; W132-Q155 HydrophobicContact CZ2-CG 4.42Å
133	T	98.6	Very high	98.1	Very high	76 Å²	76	50.6 Å²	50.6	47%	0.466	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.3	166.1	-67.2	0	0	0	0	108.9	I123 A124 N126	I123-T133 CarbonylContact C-O 3.55Å; I123-T133 WeakPolarHBondContact CA-O 3.26Å; I123-T133 WeakPolarHBondContact CG1-O 3.34Å; A124-T133 PolarHBondContact N-O 3.25Å; A124-T133 PolarHBondContact O-N 2.87Å; N126-T133 PolarHBondContact ND2-OG1 2.91Å; N126-T133 WeakPolarHBondContact OD1-CB 3.32Å; N126-T133 PolarHBondContact OD1-OG1 2.66Å
134	A	98.6	Very high	98.1	Very high	15 Å²	15	57.7 Å²	57.7	12%	0.124	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.8	-178.9	0	0	0	0	0	108.8	I123 A139 Q140 K143	I123-A134 HydrophobicContact CG1-CB 4.4Å; A134-A139 HydrophobicContact CB-CB 3.64Å; A134-Q140 HydrophobicContact CB-CG 4.48Å; A134-K143 HydrophobicContact CB-CB 4.16Å; A134-K143 HydrophobicContact CB-CD 4.16Å
135	A	98.3	Very high	98.1	Very high	64 Å²	64	62 Å²	62	53%	0.529	31%	0.308	S	S	.	.	S	Bend	trans	-71.3	-33.1	-170.2	0	0	0	0	0	113.6	D121 Y122	D121-A135 HydrophobicContact CB-CB 4.25Å; D121-A135 WeakPolarHBondContact O-CB 3.42Å; Y122-A135 PolarHBondContact O-N 3.18Å
136	D	97.9	Very high	98.1	Very high	57 Å²	57	64.4 Å²	64.4	31%	0.305	32%	0.316	S	S	.	.	S	Bend	trans	-145	-175.4	-178	72	29.6	0	0	0	113.8	Y84 A138 A139 Q140	Y84-D136 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D136 VanDerWaalsContact OH-CG 3.28Å; Y84-D136 PolarHBondContact OH-OD1 2.85Å; Y84-D136 PolarHBondContact OH-OD2 3.04Å; D136-A138 VanDerWaalsContact C-N 3.34Å; D136-A138 PolarHBondContact O-N 2.83Å; D136-A138 WeakPolarHBondContact OD1-CA 3.48Å; D136-A138 WeakPolarHBondContact OD1-CB 3.21Å; D136-A138 PolarHBondContact OD1-N 2.83Å; D136-A139 PolarHBondContact O-N 2.86Å; D136-A139 PolarHBondContact OD1-N 3.02Å; D136-Q140 WeakPolarHBondContact O-CG 3.27Å; D136-Q140 PolarHBondContact O-N 3.33Å
137	M	97.6	Very high	98	Very high	149 Å²	149	66.3 Å²	66.3	73%	0.734	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-23.2	-177.9	-69.1	-60.5	-62.4	0	0	115.1
138	A	97.4	Very high	98.1	Very high	8 Å²	8	63.6 Å²	63.6	7%	0.066	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-43.2	171.8	0	0	0	0	0	110	Y83 Y84 Y122 D136 Q140 I141	Y83-A138 HydrophobicContact CD2-CB 4.31Å; Y84-A138 HydrophobicContact CD1-CB 4.25Å; Y84-A138 HydrophobicContact CE1-CB 3.71Å; Y84-A138 HydrophobicContact CE2-CB 4.03Å; Y122-A138 HydrophobicContact CE2-CB 4.37Å; Y122-A138 PolarHBondContact OH-O 2.8Å; D136-A138 VanDerWaalsContact C-N 3.34Å; D136-A138 PolarHBondContact O-N 2.83Å; D136-A138 WeakPolarHBondContact OD1-CA 3.48Å; D136-A138 WeakPolarHBondContact OD1-CB 3.21Å; D136-A138 PolarHBondContact OD1-N 2.83Å; A138-Q140 PolarHBondContact O-N 2.92Å; A138-I141 WeakPolarHBondContact O-CA 3.32Å; A138-I141 WeakPolarHBondContact O-CB 3.42Å; A138-I141 WeakPolarHBondContact O-CG1 3.42Å; A138-I141 PolarHBondContact O-N 2.94Å
139	A	98.3	Very high	98.1	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59.4	-31.9	174.2	0	0	0	0	0	113.2	Y122 A134 D136 I141 T142 K143	Y122-A139 HydrophobicContact CD2-CB 3.77Å; Y122-A139 HydrophobicContact CE1-CB 4.47Å; Y122-A139 VanDerWaalsContact CE2-CA 3.46Å; Y122-A139 HydrophobicContact CE2-CB 3.63Å; Y122-A139 HydrophobicContact CG-CB 4.24Å; Y122-A139 WeakPolarHBondContact O-CB 3.03Å; A134-A139 HydrophobicContact CB-CB 3.64Å; D136-A139 PolarHBondContact O-N 2.86Å; D136-A139 PolarHBondContact OD1-N 3.02Å; A139-I141 PolarHBondContact O-N 2.97Å; A139-T142 PolarHBondContact O-N 3.25Å; A139-K143 WeakPolarHBondContact O-CB 3.35Å; A139-K143 PolarHBondContact O-N 3.24Å
140	Q	98.5	Very high	98.1	Very high	57 Å²	57	68 Å²	68	27%	0.266	35%	0.353	S	S	.	.	H	α-helix	trans	-58.4	-25.8	170.8	-67.1	-67.7	-26	0	0	113.2	A134 D136 A138 R144	A134-Q140 HydrophobicContact CB-CG 4.48Å; D136-Q140 WeakPolarHBondContact O-CG 3.27Å; D136-Q140 PolarHBondContact O-N 3.33Å; A138-Q140 PolarHBondContact O-N 2.92Å; Q140-R144 WeakPolarHBondContact O-CD 3.31Å; Q140-R144 VanDerWaalsContact O-CG 3.25Å; Q140-R144 WeakPolarHBondContact O-CG 3.34Å; Q140-R144 PolarHBondContact O-N 3.07Å
141	I	98.1	Very high	98.1	Very high	62 Å²	62	61 Å²	61	32%	0.318	33%	0.331	S	S	.	.	H	α-helix	trans	-72.7	-46.6	175.7	-51.2	173.1	0	0	0	110.1	Y83 A138 A139 K145	Y83-I141 HydrophobicContact CD1-CD1 4.11Å; Y83-I141 HydrophobicContact CD2-CD1 4.32Å; Y83-I141 HydrophobicContact CE1-CD1 4.3Å; Y83-I141 HydrophobicContact CE1-CG2 4.08Å; Y83-I141 HydrophobicContact CE2-CB 4.04Å; Y83-I141 HydrophobicContact CE2-CG2 4.14Å; Y83-I141 HydrophobicContact CG-CD1 4.13Å; A138-I141 WeakPolarHBondContact O-CA 3.32Å; A138-I141 WeakPolarHBondContact O-CB 3.42Å; A138-I141 WeakPolarHBondContact O-CG1 3.42Å; A138-I141 PolarHBondContact O-N 2.94Å; A139-I141 PolarHBondContact O-N 2.97Å; I141-K145 WeakPolarHBondContact O-CG 3.37Å; I141-K145 PolarHBondContact O-N 3.2Å
142	T	98.2	Very high	98.1	Very high	17 Å²	17	59.5 Å²	59.5	10%	0.104	32%	0.321	C	S	.	.	H	α-helix	trans	-62.9	-45.3	173.8	-69.4	0	0	0	0	111	Y122 I123 A139 R144 K145 W146	Y122-T142 HydrophobicContact CE1-CG2 4.17Å; Y122-T142 WeakPolarHBondContact OH-CB 3.43Å; Y122-T142 PolarHBondContact OH-OG1 3.38Å; I123-T142 HydrophobicContact CD1-CG2 4.15Å; I123-T142 HydrophobicContact CG2-CG2 4.47Å; A139-T142 PolarHBondContact O-N 3.25Å; T142-R144 PolarHBondContact O-N 3.2Å; T142-K145 WeakPolarHBondContact O-CB 3.48Å; T142-K145 PolarHBondContact O-N 2.94Å; T142-K145 VanDerWaalsContact O-N 3.11Å; T142-W146 HydrophobicContact CG2-CD2 3.7Å; T142-W146 HydrophobicContact CG2-CE3 4.16Å; T142-W146 HydrophobicContact CG2-CG 4.1Å; T142-W146 HydrophobicContact CG2-CH2 4.31Å; T142-W146 HydrophobicContact CG2-CZ2 3.85Å; T142-W146 HydrophobicContact CG2-CZ3 4.44Å; T142-W146 PolarHBondContact O-N 2.91Å
143	K	98.6	Very high	98.1	Very high	43 Å²	43	65.3 Å²	65.3	19%	0.187	35%	0.348	C	S	.	.	H	α-helix	trans	-51.1	-53.9	176.9	173.6	167.9	178.2	171.9	0	112.1	I123 W132 A134 A139 K145 W146 E147	I123-K143 HydrophobicContact CD1-CB 3.8Å; W132-K143 HydrophobicContact CB-CD 4.21Å; W132-K143 HydrophobicContact CB-CG 4.15Å; W132-K143 VanDerWaalsContact O-CE 3.25Å; W132-K143 WeakPolarHBondContact O-CE 3.36Å; W132-K143 PolarHBondContact O-NZ 3.14Å; A134-K143 HydrophobicContact CB-CB 4.16Å; A134-K143 HydrophobicContact CB-CD 4.16Å; A139-K143 WeakPolarHBondContact O-CB 3.35Å; A139-K143 PolarHBondContact O-N 3.24Å; K143-K145 VanDerWaalsContact C-N 3.31Å; K143-K145 PolarHBondContact O-N 3.24Å; K143-W146 PolarHBondContact O-N 2.88Å; K143-W146 VanDerWaalsContact O-N 3.13Å; K143-E147 WeakPolarHBondContact CE-OE1 3.48Å; K143-E147 WeakPolarHBondContact CE-OE2 3.17Å; K143-E147 HydrophobicContact CG-CG 4.28Å; K143-E147 WeakPolarHBondContact CG-OE2 3.34Å; K143-E147 IonicContact NZ-OE1 3.48Å; K143-E147 WeakPolarHBondContact O-CB 3.45Å; K143-E147 WeakPolarHBondContact O-CG 3.43Å; K143-E147 PolarHBondContact O-N 2.92Å
144	R	98.5	Very high	97.9	Very high	153 Å²	153	68.3 Å²	68.3	58%	0.577	36%	0.357	S	S	*	.	H	α-helix	trans	-60.8	-37.9	179.7	-68.9	166.5	-167.5	167.2	5.3	112.8	Q140 T142 A148	Q140-R144 WeakPolarHBondContact O-CD 3.31Å; Q140-R144 VanDerWaalsContact O-CG 3.25Å; Q140-R144 WeakPolarHBondContact O-CG 3.34Å; Q140-R144 PolarHBondContact O-N 3.07Å; T142-R144 PolarHBondContact O-N 3.2Å; R144-A148 VanDerWaalsContact O-CB 3.3Å; R144-A148 WeakPolarHBondContact O-CB 3.46Å; R144-A148 PolarHBondContact O-N 2.83Å
145	K	98	Very high	97.9	Very high	118 Å²	118	69.8 Å²	69.8	51%	0.513	36%	0.361	S	S	.	.	H	α-helix	trans	-64.9	-43.6	174.9	-73.2	175.7	173	-178	0	111.5	Y83 I141 T142 K143 A149	Y83-K145 PolarHBondContact OH-NZ 3.34Å; I141-K145 WeakPolarHBondContact O-CG 3.37Å; I141-K145 PolarHBondContact O-N 3.2Å; T142-K145 WeakPolarHBondContact O-CB 3.48Å; T142-K145 PolarHBondContact O-N 2.94Å; T142-K145 VanDerWaalsContact O-N 3.11Å; K143-K145 VanDerWaalsContact C-N 3.31Å; K143-K145 PolarHBondContact O-N 3.24Å; K145-A149 VanDerWaalsContact O-CB 3.23Å; K145-A149 WeakPolarHBondContact O-CB 3.45Å; K145-A149 PolarHBondContact O-N 2.89Å
146	W	98.1	Very high	97.9	Very high	62 Å²	62	70.4 Å²	70.4	24%	0.235	35%	0.35	C	S	.	.	H	α-helix	trans	-73	-34.8	-179.1	-75.7	7.4	0	0	0	113.1	I123 W132 T142 K143 A149 H150 A151	I123-W146 HydrophobicContact CD1-CE3 3.96Å; I123-W146 HydrophobicContact CD1-CZ3 4.25Å; I123-W146 HydrophobicContact CG2-CE3 4.36Å; I123-W146 HydrophobicContact CG2-CH2 3.96Å; I123-W146 HydrophobicContact CG2-CZ3 3.62Å; W132-W146 AromaticContact CD2-CE3 3.94Å; W132-W146 HydrophobicContact CD2-CE3 3.94Å; W132-W146 AromaticContact CE2-CE3 3.84Å; W132-W146 AromaticContact CE3-CE3 3.81Å; W132-W146 HydrophobicContact CE3-CE3 3.81Å; W132-W146 AromaticContact CE3-CZ3 3.92Å; W132-W146 HydrophobicContact CE3-CZ3 3.92Å; W132-W146 AromaticContact CH2-CE3 3.52Å; W132-W146 HydrophobicContact CH2-CE3 3.52Å; W132-W146 AromaticContact CH2-CZ3 3.57Å; W132-W146 HydrophobicContact CH2-CZ3 3.57Å; W132-W146 HydrophobicContact CZ2-CD2 4.5Å; W132-W146 AromaticContact CZ2-CE3 3.65Å; W132-W146 HydrophobicContact CZ2-CE3 3.65Å; W132-W146 HydrophobicContact CZ2-CZ3 4.19Å; W132-W146 AromaticContact CZ3-CE3 3.61Å; W132-W146 HydrophobicContact CZ3-CE3 3.61Å; W132-W146 AromaticContact CZ3-CZ3 3.41Å; W132-W146 HydrophobicContact CZ3-CZ3 3.41Å; W132-W146 VanDerWaalsContact CZ3-CZ3 3.41Å; T142-W146 HydrophobicContact CG2-CD2 3.7Å; T142-W146 HydrophobicContact CG2-CE3 4.16Å; T142-W146 HydrophobicContact CG2-CG 4.1Å; T142-W146 HydrophobicContact CG2-CH2 4.31Å; T142-W146 HydrophobicContact CG2-CZ2 3.85Å; T142-W146 HydrophobicContact CG2-CZ3 4.44Å; T142-W146 PolarHBondContact O-N 2.91Å; K143-W146 PolarHBondContact O-N 2.88Å; K143-W146 VanDerWaalsContact O-N 3.13Å; W146-A149 PolarHBondContact O-N 3.43Å; W146-H150 PolarHBondContact O-N 2.84Å; W146-A151 HydrophobicContact CB-CB 3.89Å; W146-A151 HydrophobicContact CG-CB 4.12Å; W146-A151 WeakPolarHBondContact O-CB 3.47Å; W146-A151 PolarHBondContact O-N 3.39Å
147	E	98.3	Very high	97.9	Very high	86 Å²	86	71 Å²	71	40%	0.402	36%	0.362	S	S	.	.	H	α-helix	trans	-65.3	-49.3	171.2	-71.8	174	146.4	0	0	110.9	K143 A149 H150	K143-E147 WeakPolarHBondContact CE-OE1 3.48Å; K143-E147 WeakPolarHBondContact CE-OE2 3.17Å; K143-E147 HydrophobicContact CG-CG 4.28Å; K143-E147 WeakPolarHBondContact CG-OE2 3.34Å; K143-E147 IonicContact NZ-OE1 3.48Å; K143-E147 WeakPolarHBondContact O-CB 3.45Å; K143-E147 WeakPolarHBondContact O-CG 3.43Å; K143-E147 PolarHBondContact O-N 2.92Å; E147-A149 PolarHBondContact O-N 2.83Å; E147-H150 PolarHBondContact O-N 3.11Å; E147-H150 VanDerWaalsContact O-N 3.07Å
148	A	98.2	Very high	97.9	Very high	83 Å²	83	65.4 Å²	65.4	69%	0.686	33%	0.333	S	S	*	.	H	α-helix	trans	-64.5	-23.9	176.5	0	0	0	0	0	113.9	R144	R144-A148 VanDerWaalsContact O-CB 3.3Å; R144-A148 WeakPolarHBondContact O-CB 3.46Å; R144-A148 PolarHBondContact O-N 2.83Å
149	A	97.8	Very high	97.9	Very high	60 Å²	60	65 Å²	65	50%	0.496	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	5.4	175.4	0	0	0	0	0	113.9	K145 W146 E147 A151	K145-A149 VanDerWaalsContact O-CB 3.23Å; K145-A149 WeakPolarHBondContact O-CB 3.45Å; K145-A149 PolarHBondContact O-N 2.89Å; W146-A149 PolarHBondContact O-N 3.43Å; E147-A149 PolarHBondContact O-N 2.83Å; A149-A151 PolarHBondContact O-N 2.63Å; A149-A151 VanDerWaalsContact O-N 3.14Å
150	H	97.2	Very high	97.9	Very high	112 Å²	112	68.6 Å²	68.6	52%	0.519	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	29.9	-177.1	-67	-106.2	0	0	0	113.9	W146 E147 A152 E153	W146-H150 PolarHBondContact O-N 2.84Å; E147-H150 PolarHBondContact O-N 3.11Å; E147-H150 VanDerWaalsContact O-N 3.07Å; H150-A152 PolarHBondContact O-N 2.87Å; H150-A152 VanDerWaalsContact O-N 3.14Å; H150-E153 HydrophobicContact CB-CG 4.46Å; H150-E153 IonicContact CE1-OE1 3.55Å; H150-E153 IonicContact CG-OE1 2.68Å; H150-E153 IonicContact ND1-OE1 2.75Å; H150-E153 PolarHBondContact ND1-OE1 2.87Å; H150-E153 WeakPolarHBondContact O-CB 3.47Å; H150-E153 PolarHBondContact O-N 2.83Å
151	A	97.4	Very high	97.9	Very high	17 Å²	17	67 Å²	67	14%	0.14	35%	0.345	C	S	.	.	H	α-helix	trans	-61.3	-29.9	-170.8	0	0	0	0	0	113.4	W132 W146 A149 E153 Q154 Q155	W132-A151 HydrophobicContact CZ2-CB 4.33Å; W146-A151 HydrophobicContact CB-CB 3.89Å; W146-A151 HydrophobicContact CG-CB 4.12Å; W146-A151 WeakPolarHBondContact O-CB 3.47Å; W146-A151 PolarHBondContact O-N 3.39Å; A149-A151 PolarHBondContact O-N 2.63Å; A149-A151 VanDerWaalsContact O-N 3.14Å; A151-E153 VanDerWaalsContact C-N 3.28Å; A151-E153 PolarHBondContact O-N 3.21Å; A151-Q154 PolarHBondContact O-N 3.29Å; A151-Q155 WeakPolarHBondContact O-CG 3.46Å; A151-Q155 PolarHBondContact O-N 3.28Å; A151-Q155 VanDerWaalsContact O-N 3.09Å
152	A	98.1	Very high	97.9	Very high	7 Å²	7	70.8 Å²	70.8	6%	0.058	36%	0.356	C	S	.	.	H	α-helix	trans	-60.4	-36.3	175.5	0	0	0	0	0	112.3	L125 R130 W132 H150 Q154 Q155 R156	L125-A152 HydrophobicContact CD1-CB 4.03Å; R130-A152 WeakPolarHBondContact O-CB 3.25Å; W132-A152 HydrophobicContact CZ2-CB 4.28Å; H150-A152 PolarHBondContact O-N 2.87Å; H150-A152 VanDerWaalsContact O-N 3.14Å; A152-Q154 VanDerWaalsContact C-N 3.34Å; A152-Q154 PolarHBondContact O-N 3.42Å; A152-Q155 PolarHBondContact O-N 3.25Å; A152-R156 WeakPolarHBondContact O-CB 3.2Å; A152-R156 PolarHBondContact O-N 3.18Å
153	E	97.6	Very high	97.9	Very high	125 Å²	125	70 Å²	70	58%	0.584	35%	0.351	S	S	*	.	H	α-helix	trans	-66.4	-38.1	179.3	-60.9	178	-152.5	0	0	111.5	H150 A151 A157	H150-E153 HydrophobicContact CB-CG 4.46Å; H150-E153 IonicContact CE1-OE1 3.55Å; H150-E153 IonicContact CG-OE1 2.68Å; H150-E153 IonicContact ND1-OE1 2.75Å; H150-E153 PolarHBondContact ND1-OE1 2.87Å; H150-E153 WeakPolarHBondContact O-CB 3.47Å; H150-E153 PolarHBondContact O-N 2.83Å; A151-E153 VanDerWaalsContact C-N 3.28Å; A151-E153 PolarHBondContact O-N 3.21Å; E153-A157 WeakPolarHBondContact O-CB 3.19Å; E153-A157 PolarHBondContact O-N 3.33Å
154	Q	95.8	Very high	97.9	Very high	139 Å²	139	68.1 Å²	68.1	65%	0.65	34%	0.343	S	S	*	.	H	α-helix	trans	-68.4	-43.1	176	-58.5	-176.4	9.7	0	0	112	A151 A152 Y158	A151-Q154 PolarHBondContact O-N 3.29Å; A152-Q154 VanDerWaalsContact C-N 3.34Å; A152-Q154 PolarHBondContact O-N 3.42Å; Q154-Y158 PolarHBondContact O-N 3.25Å
155	Q	97.7	Very high	97.8	Very high	47 Å²	47	66.6 Å²	66.6	22%	0.22	34%	0.343	C	S	.	.	H	α-helix	trans	-63.2	-47.7	174.9	-64.7	-60.2	-31.4	0	0	110.7	L125 W132 A151 A152 A157 Y158 L159	L125-Q155 HydrophobicContact CD2-CB 3.98Å; W132-Q155 HydrophobicContact CH2-CG 4.15Å; W132-Q155 HydrophobicContact CZ2-CG 4.42Å; A151-Q155 WeakPolarHBondContact O-CG 3.46Å; A151-Q155 PolarHBondContact O-N 3.28Å; A151-Q155 VanDerWaalsContact O-N 3.09Å; A152-Q155 PolarHBondContact O-N 3.25Å; Q155-A157 PolarHBondContact O-N 3.11Å; Q155-Y158 PolarHBondContact O-N 2.83Å; Q155-Y158 VanDerWaalsContact O-N 3.1Å; Q155-L159 HydrophobicContact CB-CD1 4.49Å; Q155-L159 WeakPolarHBondContact O-CB 3.33Å; Q155-L159 VanDerWaalsContact O-CG 3.24Å; Q155-L159 WeakPolarHBondContact O-CG 3.44Å; Q155-L159 PolarHBondContact O-N 3.44Å
156	R	98.2	Very high	97.8	Very high	77 Å²	77	64.5 Å²	64.5	29%	0.291	33%	0.331	S	S	.	.	H	α-helix	trans	-57.3	-44.9	177.3	-173.7	172.4	177.9	-102.1	-20.3	112.4	L129 A152 Y158 L159 E160	L129-R156 HydrophobicContact CB-CB 3.99Å; L129-R156 HydrophobicContact CB-CG 3.74Å; L129-R156 HydrophobicContact CD1-CG 4.1Å; L129-R156 WeakPolarHBondContact O-CD 3.41Å; A152-R156 WeakPolarHBondContact O-CB 3.2Å; A152-R156 PolarHBondContact O-N 3.18Å; R156-Y158 VanDerWaalsContact C-N 3.3Å; R156-Y158 PolarHBondContact O-N 2.85Å; R156-L159 PolarHBondContact O-N 3.29Å; R156-E160 HydrophobicContact CG-CG 4.06Å; R156-E160 IonicContact CZ-OE1 2.89Å; R156-E160 IonicContact CZ-OE2 3.87Å; R156-E160 IonicContact NE-OE1 3.49Å; R156-E160 PolarHBondContact NE-OE1 2.9Å; R156-E160 IonicContact NE-OE2 3.52Å; R156-E160 PolarHBondContact NE-OE2 3.17Å; R156-E160 IonicContact NH1-OE2 3.55Å; R156-E160 IonicContact NH2-OE1 2.77Å; R156-E160 PolarHBondContact NH2-OE1 3.13Å; R156-E160 IonicContact NH2-OE2 3.24Å; R156-E160 PolarHBondContact NH2-OE2 2.88Å; R156-E160 WeakPolarHBondContact O-CB 3.43Å; R156-E160 PolarHBondContact O-N 2.92Å
157	A	98.1	Very high	97.8	Very high	68 Å²	68	61.5 Å²	61.5	56%	0.562	32%	0.32	S	S	*	.	H	α-helix	trans	-64.7	-30	177.1	0	0	0	0	0	113.6	E153 Q155	E153-A157 WeakPolarHBondContact O-CB 3.19Å; E153-A157 PolarHBondContact O-N 3.33Å; Q155-A157 PolarHBondContact O-N 3.11Å
158	Y	97.9	Very high	97.8	Very high	32 Å²	32	62.8 Å²	62.8	13%	0.125	32%	0.321	C	S	.	.	I	π-helix	trans	-74	-46.8	169.6	172.5	-99	0	0	0	111.9	Y98 Q154 Q155 R156 G161 R162 C163	Y98-Y158 AromaticContact CD2-CE1 3.79Å; Y98-Y158 HydrophobicContact CD2-CE1 3.79Å; Y98-Y158 AromaticContact CE2-CE1 3.61Å; Y98-Y158 HydrophobicContact CE2-CE1 3.61Å; Y98-Y158 AromaticContact CE2-CZ 3.94Å; Q154-Y158 PolarHBondContact O-N 3.25Å; Q155-Y158 PolarHBondContact O-N 2.83Å; Q155-Y158 VanDerWaalsContact O-N 3.1Å; R156-Y158 VanDerWaalsContact C-N 3.3Å; R156-Y158 PolarHBondContact O-N 2.85Å; Y158-G161 CarbonylContact O-C 3.55Å; Y158-R162 HydrophobicContact CD2-CB 3.88Å; Y158-R162 HydrophobicContact CE2-CB 4.16Å; Y158-R162 PolarHBondContact O-N 3.37Å; Y158-R162 VanDerWaalsContact O-N 3.16Å; Y158-C163 HydrophobicContact CD1-CB 4.26Å; Y158-C163 HydrophobicContact CE1-CB 3.83Å; Y158-C163 WeakPolarHBondContact O-CB 3.44Å; Y158-C163 PolarHBondContact O-N 2.84Å
159	L	98.4	Very high	97.7	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.311	C	S	.	.	I	π-helix	trans	-70.5	-44.4	-172.2	-69.6	173	0	0	0	113.4	G99 F108 L125 L129 Q155 R156	G99-L159 VanDerWaalsContact O-CD2 3.23Å; G99-L159 WeakPolarHBondContact O-CD2 3.13Å; F108-L159 WeakPolarHBondContact CD2-O 3.42Å; F108-L159 HydrophobicContact CE2-CB 4.42Å; F108-L159 VanDerWaalsContact CE2-O 3.26Å; F108-L159 WeakPolarHBondContact CE2-O 3.4Å; L125-L159 HydrophobicContact CD2-CD1 3.9Å; L129-L159 HydrophobicContact CD2-CD1 4.13Å; Q155-L159 HydrophobicContact CB-CD1 4.49Å; Q155-L159 WeakPolarHBondContact O-CB 3.33Å; Q155-L159 VanDerWaalsContact O-CG 3.24Å; Q155-L159 WeakPolarHBondContact O-CG 3.44Å; Q155-L159 PolarHBondContact O-N 3.44Å; R156-L159 PolarHBondContact O-N 3.29Å
160	E	98.2	Very high	97.7	Very high	75 Å²	75	61.9 Å²	61.9	35%	0.35	29%	0.287	S	S	.	.	I	π-helix	trans	-76.2	-25.6	178	-65.4	-177.9	168.5	0	0	112.6	F108 L129 R156	F108-E160 HydrophobicContact CD1-CG 4.17Å; F108-E160 HydrophobicContact CE1-CG 3.92Å; F108-E160 HydrophobicContact CE2-CG 4.43Å; F108-E160 HydrophobicContact CZ-CG 4.04Å; L129-E160 HydrophobicContact CD1-CG 3.96Å; R156-E160 HydrophobicContact CG-CG 4.06Å; R156-E160 IonicContact CZ-OE1 2.89Å; R156-E160 IonicContact CZ-OE2 3.87Å; R156-E160 IonicContact NE-OE1 3.49Å; R156-E160 PolarHBondContact NE-OE1 2.9Å; R156-E160 IonicContact NE-OE2 3.52Å; R156-E160 PolarHBondContact NE-OE2 3.17Å; R156-E160 IonicContact NH1-OE2 3.55Å; R156-E160 IonicContact NH2-OE1 2.77Å; R156-E160 PolarHBondContact NH2-OE1 3.13Å; R156-E160 IonicContact NH2-OE2 3.24Å; R156-E160 PolarHBondContact NH2-OE2 2.88Å; R156-E160 WeakPolarHBondContact O-CB 3.43Å; R156-E160 PolarHBondContact O-N 2.92Å
161	G	97.8	Very high	97.7	Very high	23 Å²	23	57.1 Å²	57.1	24%	0.237	27%	0.265	C	S	.	.	I	π-helix	trans	-106.9	-97.6	-176.5	0	0	0	0	0	113	Y158 C163 V164 E165	Y158-G161 CarbonylContact O-C 3.55Å; G161-C163 PolarHBondContact O-N 2.83Å; G161-C163 VanDerWaalsContact O-N 3.07Å; G161-V164 WeakPolarHBondContact O-CB 3.48Å; G161-V164 PolarHBondContact O-N 2.89Å; G161-E165 PolarHBondContact O-N 2.77Å
162	R	97.4	Very high	97.6	Very high	142 Å²	142	61.8 Å²	61.8	54%	0.536	28%	0.284	S	S	.	.	I	π-helix	trans	-52.4	-35.9	-169.7	-69.2	-170.1	-68.1	151.8	-0.3	114.5	Y158 E165 W166	Y158-R162 HydrophobicContact CD2-CB 3.88Å; Y158-R162 HydrophobicContact CE2-CB 4.16Å; Y158-R162 PolarHBondContact O-N 3.37Å; Y158-R162 VanDerWaalsContact O-N 3.16Å; R162-E165 WeakPolarHBondContact CA-OE2 3.44Å; R162-E165 PolarHBondContact O-N 2.9Å; R162-W166 PolarHBondContact O-N 3.03Å
163	C	98.3	Very high	97.5	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.9	-45.1	177	-175	0	0	0	0	111.6	M4 C100 Y158 G161 W166 L167	M4-C163 HydrophobicContact CE-CB 4.15Å; M4-C163 VanDerWaalsContact CE-O 3.25Å; M4-C163 WeakPolarHBondContact CE-O 3.47Å; M4-C163 WeakPolarHBondContact CE-SG 3.41Å; C100-C163 HydrophobicContact CB-CB 3.88Å; C100-C163 WeakPolarHBondContact CB-SG 3.36Å; C100-C163 PolarHBondContact N-SG 3.09Å; C100-C163 WeakPolarHBondContact SG-CB 3.29Å; C100-C163 CovalentContact SG-SG 2.03Å; C100-C163 PolarHBondContact SG-SG 3.42Å; Y158-C163 HydrophobicContact CD1-CB 4.26Å; Y158-C163 HydrophobicContact CE1-CB 3.83Å; Y158-C163 WeakPolarHBondContact O-CB 3.44Å; Y158-C163 PolarHBondContact O-N 2.84Å; G161-C163 PolarHBondContact O-N 2.83Å; G161-C163 VanDerWaalsContact O-N 3.07Å; C163-W166 PolarHBondContact O-N 3.08Å; C163-L167 WeakPolarHBondContact O-CB 3.36Å; C163-L167 PolarHBondContact O-N 2.86Å
164	V	98.4	Very high	97.4	Very high	4 Å²	4	58 Å²	58	2%	0.024	27%	0.268	C	S	.	.	H	α-helix	trans	-67.9	-37.7	177.2	175	0	0	0	0	111.6	V102 F108 G161 R168	V102-V164 HydrophobicContact CG1-CB 4.48Å; V102-V164 HydrophobicContact CG1-CG1 3.98Å; V102-V164 HydrophobicContact CG1-CG2 4.06Å; F108-V164 HydrophobicContact CB-CG2 4.02Å; F108-V164 HydrophobicContact CD2-CG2 3.65Å; F108-V164 HydrophobicContact CG-CG2 4.32Å; G161-V164 WeakPolarHBondContact O-CB 3.48Å; G161-V164 PolarHBondContact O-N 2.89Å; V164-R168 WeakPolarHBondContact O-CB 3.38Å; V164-R168 VanDerWaalsContact O-CG 3.24Å; V164-R168 WeakPolarHBondContact O-CG 3.3Å; V164-R168 PolarHBondContact O-N 2.86Å
165	E	98	Very high	97.4	Very high	121 Å²	121	55.6 Å²	55.6	57%	0.565	26%	0.255	S	S	*	.	H	α-helix	trans	-62.4	-47.5	176.1	-66.3	171.8	157.4	0	0	111.8	G161 R162 R169	G161-E165 PolarHBondContact O-N 2.77Å; R162-E165 WeakPolarHBondContact CA-OE2 3.44Å; R162-E165 PolarHBondContact O-N 2.9Å; E165-R169 PolarHBondContact O-N 3.33Å; E165-R169 VanDerWaalsContact O-N 3.15Å
166	W	97.9	Very high	97.1	Very high	74 Å²	74	62.1 Å²	62.1	28%	0.28	29%	0.286	S	S	.	.	H	α-helix	trans	-67.1	-44.5	176.3	-80.2	115.5	0	0	0	112.6	M4 Y58 R162 C163 R168 R169 Y170	M4-W166 HydrophobicContact CE-CB 4.01Å; M4-W166 HydrophobicContact SD-CB 4.29Å; Y58-W166 AromaticContact CD2-CH2 3.57Å; Y58-W166 HydrophobicContact CD2-CH2 3.57Å; Y58-W166 HydrophobicContact CD2-CZ2 4.06Å; Y58-W166 HydrophobicContact CD2-CZ3 4Å; Y58-W166 HydrophobicContact CE2-CH2 4.05Å; Y58-W166 HydrophobicContact CE2-CZ2 4.43Å; Y58-W166 HydrophobicContact CE2-CZ3 4.11Å; Y58-W166 HydrophobicContact CG-CH2 4.5Å; R162-W166 PolarHBondContact O-N 3.03Å; C163-W166 PolarHBondContact O-N 3.08Å; W166-R168 VanDerWaalsContact C-N 3.34Å; W166-R168 PolarHBondContact O-N 2.78Å; W166-R169 WeakPolarHBondContact O-CB 3.43Å; W166-R169 PolarHBondContact O-N 2.82Å; W166-R169 VanDerWaalsContact O-N 3.12Å; W166-Y170 HydrophobicContact CB-CE2 3.98Å; W166-Y170 HydrophobicContact CD2-CE1 4.46Å; W166-Y170 HydrophobicContact CE3-CD1 4.39Å; W166-Y170 AromaticContact CE3-CE1 3.44Å; W166-Y170 HydrophobicContact CE3-CE1 3.44Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.44Å; W166-Y170 HydrophobicContact CE3-CE2 4.42Å; W166-Y170 AromaticContact CE3-CZ 3.46Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.46Å; W166-Y170 VanDerWaalsContact CE3-OH 3.23Å; W166-Y170 AromaticContact CZ3-CE1 3.89Å; W166-Y170 HydrophobicContact CZ3-CE1 3.89Å; W166-Y170 WeakPolarHBondContact O-CD2 3.21Å; W166-Y170 PolarHBondContact O-N 2.71Å
167	L	98.2	Very high	96.8	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.6	-43.6	176.7	175	52.9	0	0	0	111.8	H2 M4 V27 V102 C163 R169 Y170 L171	H2-L167 HydrophobicContact CB-CD1 4.36Å; M4-L167 HydrophobicContact CB-CB 4.03Å; M4-L167 HydrophobicContact CB-CD1 4.04Å; M4-L167 HydrophobicContact CB-CD2 4.13Å; M4-L167 HydrophobicContact CB-CG 4.28Å; V27-L167 HydrophobicContact CG1-CD1 3.63Å; V27-L167 HydrophobicContact CG2-CD1 4.32Å; V102-L167 HydrophobicContact CB-CD2 4.45Å; V102-L167 HydrophobicContact CG1-CD2 4Å; V102-L167 HydrophobicContact CG2-CD2 3.74Å; V102-L167 HydrophobicContact CG2-CG 4.3Å; C163-L167 WeakPolarHBondContact O-CB 3.36Å; C163-L167 PolarHBondContact O-N 2.86Å; L167-R169 PolarHBondContact O-N 3.05Å; L167-Y170 PolarHBondContact O-N 2.93Å; L167-L171 HydrophobicContact CD1-CD1 3.72Å; L167-L171 HydrophobicContact CD1-CD2 4.43Å; L167-L171 HydrophobicContact CD1-CG 3.84Å; L167-L171 HydrophobicContact CG-CD1 3.91Å; L167-L171 HydrophobicContact CG-CG 4.47Å; L167-L171 WeakPolarHBondContact O-CB 3.38Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.3Å; L167-L171 PolarHBondContact O-N 2.78Å
168	R	97.3	Very high	96.5	Very high	113 Å²	113	58 Å²	58	43%	0.426	26%	0.262	S	S	.	.	H	α-helix	trans	-59.5	-43.9	173.8	-75.1	169.7	-178.6	166.2	2	112.7	A106 V164 W166 L171 E172	A106-R168 HydrophobicContact CB-CG 4.13Å; A106-R168 VanDerWaalsContact O-CZ 3.25Å; A106-R168 PolarHBondContact O-NE 3.25Å; A106-R168 PolarHBondContact O-NH2 3.37Å; V164-R168 WeakPolarHBondContact O-CB 3.38Å; V164-R168 VanDerWaalsContact O-CG 3.24Å; V164-R168 WeakPolarHBondContact O-CG 3.3Å; V164-R168 PolarHBondContact O-N 2.86Å; W166-R168 VanDerWaalsContact C-N 3.34Å; W166-R168 PolarHBondContact O-N 2.78Å; R168-L171 PolarHBondContact O-N 3.49Å; R168-E172 PolarHBondContact O-N 2.71Å
169	R	96.9	Very high	96.2	Very high	123 Å²	123	60.5 Å²	60.5	46%	0.464	28%	0.275	S	S	.	.	H	α-helix	trans	-62.3	-45.9	177.1	179.4	174.9	173.8	121.5	-5.6	111.3	E54 E165 W166 L167 E172 N173	E54-R169 VanDerWaalsContact CD-NH2 3.35Å; E54-R169 IonicContact OE1-CZ 2.76Å; E54-R169 IonicContact OE1-NE 3.2Å; E54-R169 PolarHBondContact OE1-NE 3.05Å; E54-R169 IonicContact OE1-NH2 2.82Å; E54-R169 PolarHBondContact OE1-NH2 2.94Å; E54-R169 IonicContact OE2-CZ 3.78Å; E54-R169 IonicContact OE2-NE 3.66Å; E54-R169 IonicContact OE2-NH2 3.12Å; E54-R169 PolarHBondContact OE2-NH2 2.83Å; E165-R169 PolarHBondContact O-N 3.33Å; E165-R169 VanDerWaalsContact O-N 3.15Å; W166-R169 WeakPolarHBondContact O-CB 3.43Å; W166-R169 PolarHBondContact O-N 2.82Å; W166-R169 VanDerWaalsContact O-N 3.12Å; L167-R169 PolarHBondContact O-N 3.05Å; R169-E172 PolarHBondContact O-N 2.96Å; R169-N173 VanDerWaalsContact O-CB 3.26Å; R169-N173 WeakPolarHBondContact O-CB 3.48Å; R169-N173 PolarHBondContact O-N 3.33Å; R169-N173 PolarHBondContact O-OD1 2.84Å
170	Y	97.3	Very high	96	Very high	1 Å²	1	63.9 Å²	63.9	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-65.5	-38.1	178.2	-60.8	-23.1	0	0	0	112.7	M4 V27 F32 W50 I51 Y58 W166 L167 E172 N173 G174 L178	M4-Y170 HydrophobicContact SD-CD2 3.73Å; M4-Y170 HydrophobicContact SD-CE2 3.52Å; M4-Y170 VanDerWaalsContact SD-CE2 3.52Å; V27-Y170 HydrophobicContact CG2-CD2 3.9Å; V27-Y170 HydrophobicContact CG2-CG 4.46Å; F32-Y170 HydrophobicContact CD2-CE2 4.31Å; F32-Y170 HydrophobicContact CE2-CD2 4.03Å; F32-Y170 AromaticContact CE2-CE2 3.44Å; F32-Y170 HydrophobicContact CE2-CE2 3.44Å; F32-Y170 VanDerWaalsContact CE2-CE2 3.44Å; F32-Y170 AromaticContact CE2-CZ 3.81Å; F32-Y170 HydrophobicContact CZ-CD2 4.09Å; F32-Y170 AromaticContact CZ-CE2 3.59Å; F32-Y170 HydrophobicContact CZ-CE2 3.59Å; W50-Y170 HydrophobicContact CH2-CG 4.2Å; W50-Y170 AromaticContact CZ3-CD1 3.86Å; W50-Y170 HydrophobicContact CZ3-CD1 3.86Å; W50-Y170 HydrophobicContact CZ3-CD2 4.38Å; W50-Y170 AromaticContact CZ3-CG 3.68Å; W50-Y170 HydrophobicContact CZ3-CG 3.68Å; I51-Y170 HydrophobicContact CD1-CD1 3.78Å; I51-Y170 HydrophobicContact CD1-CE1 3.31Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.22Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.4Å; Y58-Y170 PolarHBondContact OH-OH 2.71Å; Y58-Y170 VanDerWaalsContact OH-OH 3.09Å; W166-Y170 HydrophobicContact CB-CE2 3.98Å; W166-Y170 HydrophobicContact CD2-CE1 4.46Å; W166-Y170 HydrophobicContact CE3-CD1 4.39Å; W166-Y170 AromaticContact CE3-CE1 3.44Å; W166-Y170 HydrophobicContact CE3-CE1 3.44Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.44Å; W166-Y170 HydrophobicContact CE3-CE2 4.42Å; W166-Y170 AromaticContact CE3-CZ 3.46Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.46Å; W166-Y170 VanDerWaalsContact CE3-OH 3.23Å; W166-Y170 AromaticContact CZ3-CE1 3.89Å; W166-Y170 HydrophobicContact CZ3-CE1 3.89Å; W166-Y170 WeakPolarHBondContact O-CD2 3.21Å; W166-Y170 PolarHBondContact O-N 2.71Å; L167-Y170 PolarHBondContact O-N 2.93Å; Y170-E172 PolarHBondContact O-N 2.9Å; Y170-N173 PolarHBondContact O-N 2.98Å; Y170-G174 WeakPolarHBondContact O-CA 3.23Å; Y170-G174 PolarHBondContact O-N 2.74Å; Y170-L178 WeakPolarHBondContact O-CD1 3.35Å
171	L	96.5	Very high	95.8	Very high	11 Å²	11	63.1 Å²	63.1	6%	0.058	29%	0.288	C	S	.	.	H	α-helix	trans	-65.7	-32.9	176.7	-73.3	166.7	0	0	0	113.5	H2 V27 L167 R168 K175 L178 Q179	H2-L171 HydrophobicContact CB-CD1 3.64Å; H2-L171 HydrophobicContact CB-CD2 3.95Å; H2-L171 HydrophobicContact CB-CG 4.38Å; H2-L171 VanDerWaalsContact CG-CD2 3.49Å; V27-L171 HydrophobicContact CG1-CD2 4.14Å; L167-L171 HydrophobicContact CD1-CD1 3.72Å; L167-L171 HydrophobicContact CD1-CD2 4.43Å; L167-L171 HydrophobicContact CD1-CG 3.84Å; L167-L171 HydrophobicContact CG-CD1 3.91Å; L167-L171 HydrophobicContact CG-CG 4.47Å; L167-L171 WeakPolarHBondContact O-CB 3.38Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.3Å; L167-L171 PolarHBondContact O-N 2.78Å; R168-L171 PolarHBondContact O-N 3.49Å; L171-K175 VanDerWaalsContact O-CA 3.25Å; L171-K175 WeakPolarHBondContact O-CA 3.41Å; L171-K175 PolarHBondContact O-N 2.85Å; L171-L178 HydrophobicContact CD2-CB 4.19Å; L171-L178 HydrophobicContact CD2-CD1 4.31Å; L171-Q179 PolarHBondContact O-NE2 3.36Å
172	E	96.1	Very high	95.7	Very high	115 Å²	115	64.4 Å²	64.4	54%	0.537	29%	0.29	S	S	.	.	H	α-helix	trans	-81.2	-43.2	173.3	-165.8	63.8	-157.3	0	0	111.3	R168 R169 Y170 G174 K175	R168-E172 PolarHBondContact O-N 2.71Å; R169-E172 PolarHBondContact O-N 2.96Å; Y170-E172 PolarHBondContact O-N 2.9Å; E172-G174 VanDerWaalsContact C-N 3.29Å; E172-G174 PolarHBondContact O-N 2.85Å; E172-K175 WeakPolarHBondContact O-CB 3.44Å; E172-K175 PolarHBondContact O-N 3.05Å; E172-K175 IonicContact OE1-NZ 3.39Å; E172-K175 PolarHBondContact OE1-NZ 3.46Å; E172-K175 IonicContact OE2-NZ 3.67Å; E172-K175 PolarHBondContact OE2-NZ 2.8Å
173	N	96.3	Very high	95.7	Very high	49 Å²	49	60.7 Å²	60.7	26%	0.262	28%	0.284	S	S	.	.	H	α-helix	trans	-56.4	-41.6	174.9	-77.9	9.3	0	0	0	112.6	W50 E54 R169 Y170	W50-N173 WeakPolarHBondContact CB-O 3.28Å; E54-N173 PolarHBondContact OE1-ND2 2.97Å; E54-N173 VanDerWaalsContact OE1-ND2 3.08Å; R169-N173 VanDerWaalsContact O-CB 3.26Å; R169-N173 WeakPolarHBondContact O-CB 3.48Å; R169-N173 PolarHBondContact O-N 3.33Å; R169-N173 PolarHBondContact O-OD1 2.84Å; Y170-N173 PolarHBondContact O-N 2.98Å
174	G	95.4	Very high	95.7	Very high	3 Å²	3	61.1 Å²	61.1	3%	0.031	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	17.7	-175.1	0	0	0	0	0	114.5	W50 Y170 E172 E176 T177 L178	W50-G174 VanDerWaalsContact CB-CA 3.43Å; Y170-G174 WeakPolarHBondContact O-CA 3.23Å; Y170-G174 PolarHBondContact O-N 2.74Å; E172-G174 VanDerWaalsContact C-N 3.29Å; E172-G174 PolarHBondContact O-N 2.85Å; G174-E176 VanDerWaalsContact C-N 3.33Å; G174-E176 PolarHBondContact O-N 3.4Å; G174-T177 WeakPolarHBondContact O-CA 3.45Å; G174-T177 PolarHBondContact O-N 2.82Å; G174-L178 PolarHBondContact O-N 2.98Å
175	K	94.1	Very high	95.7	Very high	89 Å²	89	68.2 Å²	68.2	39%	0.387	32%	0.317	S	S	.	.	H	α-helix	trans	-45.9	-48.2	-171.5	-170.4	170	-160.6	145.8	0	114.7	L171 E172 T177 Q179	L171-K175 VanDerWaalsContact O-CA 3.25Å; L171-K175 WeakPolarHBondContact O-CA 3.41Å; L171-K175 PolarHBondContact O-N 2.85Å; E172-K175 WeakPolarHBondContact O-CB 3.44Å; E172-K175 PolarHBondContact O-N 3.05Å; E172-K175 IonicContact OE1-NZ 3.39Å; E172-K175 PolarHBondContact OE1-NZ 3.46Å; E172-K175 IonicContact OE2-NZ 3.67Å; E172-K175 PolarHBondContact OE2-NZ 2.8Å; K175-T177 PolarHBondContact O-N 3.13Å; K175-Q179 WeakPolarHBondContact O-CB 3.48Å; K175-Q179 PolarHBondContact O-N 3.02Å
176	E	92	Very high	95.6	Very high	185 Å²	185	64.3 Å²	64.3	86%	0.864	30%	0.302	S	S	*	.	H	α-helix	trans	-65.9	-18.1	-179.8	-58.9	-174	159	0	0	114	G174	G174-E176 VanDerWaalsContact C-N 3.33Å; G174-E176 PolarHBondContact O-N 3.4Å
177	T	91.6	Very high	95.5	Very high	52 Å²	52	64.5 Å²	64.5	32%	0.319	31%	0.305	S	S	.	.	H	α-helix	trans	-107.1	-37.3	-179.9	-52	0	0	0	0	112.8	G174 K175 R180	G174-T177 WeakPolarHBondContact O-CA 3.45Å; G174-T177 PolarHBondContact O-N 2.82Å; K175-T177 PolarHBondContact O-N 3.13Å; T177-R180 WeakPolarHBondContact O-CD 3.43Å; T177-R180 WeakPolarHBondContact O-CG 3.49Å; T177-R180 PolarHBondContact O-NE 3.31Å; T177-R180 VanDerWaalsContact O-NE 3.13Å
178	L	92.7	Very high	95.4	Very high	5 Å²	5	65.6 Å²	65.6	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-91.7	-31.1	-173.3	-62.6	173.7	0	0	0	113.1	V27 T30 W50 Y170 L171 G174	V27-L178 HydrophobicContact CB-CD1 4.33Å; V27-L178 HydrophobicContact CB-CD2 4.2Å; V27-L178 HydrophobicContact CG1-CD1 3.88Å; V27-L178 HydrophobicContact CG1-CD2 4.11Å; T30-L178 HydrophobicContact CG2-CD2 4Å; W50-L178 HydrophobicContact CD2-CD1 4.41Å; W50-L178 HydrophobicContact CH2-CD1 4.19Å; W50-L178 HydrophobicContact CZ2-CD1 3.72Å; W50-L178 HydrophobicContact CZ2-CD2 3.96Å; W50-L178 HydrophobicContact CZ2-CG 4.2Å; Y170-L178 WeakPolarHBondContact O-CD1 3.35Å; L171-L178 HydrophobicContact CD2-CB 4.19Å; L171-L178 HydrophobicContact CD2-CD1 4.31Å; G174-L178 PolarHBondContact O-N 2.98Å
179	Q	91.4	Very high	95.2	Very high	86 Å²	86	62.1 Å²	62.1	40%	0.402	30%	0.302	S	S	.	.	S	Bend	trans	-103.7	14.7	178.8	-53.5	-179.4	36.9	0	0	112.2	L171 K175	L171-Q179 PolarHBondContact O-NE2 3.36Å; K175-Q179 WeakPolarHBondContact O-CB 3.48Å; K175-Q179 PolarHBondContact O-N 3.02Å
180	R	93.8	Very high	95.1	Very high	71 Å²	71	59 Å²	59	27%	0.268	29%	0.293	S	S	.	.			trans	-78.2	161.5	169.2	76.7	-173.1	166.7	145.3	-3.8	110.6	T177 D182 Y208 G238	T177-R180 WeakPolarHBondContact O-CD 3.43Å; T177-R180 WeakPolarHBondContact O-CG 3.49Å; T177-R180 PolarHBondContact O-NE 3.31Å; T177-R180 VanDerWaalsContact O-NE 3.13Å; R180-D182 WeakPolarHBondContact CD-OD2 3.32Å; R180-D182 IonicContact CZ-OD2 3.76Å; R180-D182 VanDerWaalsContact CZ-OD2 3.23Å; R180-D182 IonicContact NE-OD2 2.69Å; R180-D182 PolarHBondContact NE-OD2 2.83Å; R180-D182 IonicContact NH1-OD2 3.29Å; R180-D182 PolarHBondContact NH1-OD2 2.85Å; R180-Y208 HydrophobicContact CG-CD1 3.69Å; R180-Y208 HydrophobicContact CG-CE1 4.11Å; R180-Y208 HydrophobicContact CG-CG 4.43Å; R180-G238 PolarHBondContact NH2-O 3.1Å
181	T	94.6	Very high	94.9	Very high	59 Å²	59	62.3 Å²	62.3	36%	0.362	31%	0.308	S	S	.	.			trans	-139.3	107.2	170.4	-21.6	0	0	0	0	108.9	Y208 E263 G264	T181-Y208 CarbonylContact C-O 3.59Å; T181-Y208 WeakPolarHBondContact CA-O 3.21Å; T181-E263 HydrophobicContact CG2-CB 3.89Å; T181-E263 HydrophobicContact CG2-CG 4.06Å; T181-G264 VanDerWaalsContact CG2-CA 3.49Å; T181-G264 VanDerWaalsContact CG2-N 3.27Å
182	D	96.2	Very high	94.7	Very high	50 Å²	50	66.6 Å²	66.6	27%	0.267	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-95.3	115.2	-178.1	-68	-46.3	0	0	0	108.5	R180 F207 Y208 H262	R180-D182 WeakPolarHBondContact CD-OD2 3.32Å; R180-D182 IonicContact CZ-OD2 3.76Å; R180-D182 VanDerWaalsContact CZ-OD2 3.23Å; R180-D182 IonicContact NE-OD2 2.69Å; R180-D182 PolarHBondContact NE-OD2 2.83Å; R180-D182 IonicContact NH1-OD2 3.29Å; R180-D182 PolarHBondContact NH1-OD2 2.85Å; D182-F207 WeakPolarHBondContact O-CA 3.05Å; D182-F207 VanDerWaalsContact O-CB 3.3Å; D182-F207 WeakPolarHBondContact O-CB 3.23Å; D182-Y208 PolarHBondContact N-O 3.42Å; D182-Y208 PolarHBondContact O-N 2.75Å; D182-Y208 VanDerWaalsContact O-N 3.07Å; D182-H262 PolarHBondContact O-CE1 2.94Å; D182-H262 VanDerWaalsContact O-CE1 3.24Å
183	P	97.5	Very high	94.5	Very high	64 Å²	64	65.5 Å²	65.5	42%	0.416	33%	0.334	S	S	.	.			trans	-73.6	145	-176.3	27.1	-33.8	0	0	0	112.6	K185 L265	P183-K185 PolarHBondContact O-N 2.6Å; P183-L265 HydrophobicContact CB-CD2 3.97Å
184	P	97.9	Very high	94.3	Very high	8 Å²	8	65.9 Å²	65.9	5%	0.052	34%	0.34	C	S	.	.			trans	-64.8	128	-178.6	26.4	-35.7	0	0	0	112.7	T186 A204 F207 I212 V260 H262 L265	P184-T186 HydrophobicContact CB-CG2 4.11Å; P184-T186 HydrophobicContact CG-CG2 4.28Å; P184-T186 PolarHBondContact O-N 2.86Å; P184-A204 HydrophobicContact CB-CB 3.8Å; P184-F207 HydrophobicContact CB-CB 3.96Å; P184-F207 HydrophobicContact CB-CD1 3.89Å; P184-F207 HydrophobicContact CB-CG 4.19Å; P184-I212 HydrophobicContact CB-CD1 4.05Å; P184-I212 HydrophobicContact CG-CD1 4.09Å; P184-V260 HydrophobicContact CG-CG1 3.96Å; P184-H262 HydrophobicContact CG-CB 4.11Å; P184-L265 HydrophobicContact CG-CD1 3.82Å; P184-L265 HydrophobicContact CG-CD2 4.27Å; P184-L265 HydrophobicContact CG-CG 4.12Å
185	K	97.8	Very high	94	Very high	154 Å²	154	72.9 Å²	72.9	67%	0.67	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	93.4	167.2	-64.7	164.1	-172.4	160.8	0	107.8	P183 L205	P183-K185 PolarHBondContact O-N 2.6Å; K185-L205 WeakPolarHBondContact CB-O 3.29Å; K185-L205 PolarHBondContact N-O 2.82Å; K185-L205 PolarHBondContact O-N 2.76Å
186	T	96.9	Very high	93.9	Very high	39 Å²	39	75.3 Å²	75.3	24%	0.239	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	138.1	-175.6	53.3	0	0	0	0	112.6	P184 W203 A204 V260 L269 L271	P184-T186 HydrophobicContact CB-CG2 4.11Å; P184-T186 HydrophobicContact CG-CG2 4.28Å; P184-T186 PolarHBondContact O-N 2.86Å; T186-W203 WeakPolarHBondContact CA-O 3.36Å; T186-A204 HydrophobicContact CG2-CB 4.48Å; T186-V260 HydrophobicContact CG2-CB 4.33Å; T186-V260 HydrophobicContact CG2-CG1 4.1Å; T186-V260 HydrophobicContact CG2-CG2 3.99Å; T186-L269 HydrophobicContact CG2-CD1 4.21Å; T186-L271 HydrophobicContact CG2-CD1 4.18Å
187	H	94.8	Very high	94	Very high	77 Å²	77	71 Å²	71	36%	0.356	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	167.9	169.2	70.6	-75.9	0	0	0	110.6	W203	H187-W203 VanDerWaalsContact CE1-CB 3.42Å; H187-W203 WeakPolarHBondContact CE1-CB 3.41Å; H187-W203 AromaticContact CE1-CD1 3.8Å; H187-W203 AromaticContact CE1-CG 3.56Å; H187-W203 PolarHBondContact N-O 3.08Å; H187-W203 AromaticContact NE2-CD1 3.5Å; H187-W203 AromaticContact NE2-CG 3.73Å; H187-W203 PolarHBondContact O-N 3.31Å
188	M	95.3	Very high	94.1	Very high	24 Å²	24	68.7 Å²	68.7	12%	0.118	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.6	176.1	-75	-179.8	48.3	0	0	111.4	L200 R201 C202 W216 L271 W273	M188-L200 HydrophobicContact CE-CB 4.43Å; M188-L200 HydrophobicContact CE-CD1 4.16Å; M188-L200 HydrophobicContact CE-CD2 4.1Å; M188-L200 HydrophobicContact CE-CG 4.48Å; M188-R201 CarbonylContact C-O 3.58Å; M188-R201 WeakPolarHBondContact CA-O 3.47Å; M188-C202 HydrophobicContact CG-CB 4.33Å; M188-W216 HydrophobicContact CE-CH2 3.6Å; M188-W216 HydrophobicContact CE-CZ3 4.35Å; M188-W216 HydrophobicContact SD-CH2 4.18Å; M188-L271 HydrophobicContact CG-CB 4.31Å; M188-L271 HydrophobicContact CG-CD2 4.49Å; M188-L271 HydrophobicContact SD-CB 3.76Å; M188-W273 HydrophobicContact CB-CE3 4.11Å; M188-W273 HydrophobicContact CB-CZ3 4.48Å; M188-W273 HydrophobicContact CE-CB 3.62Å; M188-W273 HydrophobicContact CE-CE3 4.3Å; M188-W273 VanDerWaalsContact CE-N 3.32Å
189	T	94.4	Very high	94.2	Very high	39 Å²	39	69.7 Å²	69.7	24%	0.239	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.6	171.9	59.9	0	0	0	0	110.7	H191 R201 W203	T189-H191 PolarHBondContact OG1-CE1 2.94Å; T189-H191 PolarHBondContact OG1-NE2 3Å; T189-R201 PolarHBondContact N-O 2.73Å; T189-R201 PolarHBondContact O-N 2.72Å; T189-W203 PolarHBondContact OG1-NE1 2.9Å
190	H	93.8	Very high	94.5	Very high	59 Å²	59	65.6 Å²	65.6	27%	0.273	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.3	-175.7	169	-86.5	0	0	0	109.8	A198 L200 W273	H190-A198 VanDerWaalsContact NE2-CB 3.3Å; H190-A198 WeakPolarHBondContact NE2-CB 3.4Å; H190-L200 HydrophobicContact CB-CD2 4.04Å; H190-W273 HydrophobicContact CB-CD2 4.06Å; H190-W273 HydrophobicContact CB-CE3 4.11Å; H190-W273 HydrophobicContact CB-CH2 3.47Å; H190-W273 VanDerWaalsContact CB-CH2 3.47Å; H190-W273 HydrophobicContact CB-CZ2 3.36Å; H190-W273 HydrophobicContact CB-CZ3 3.83Å; H190-W273 AromaticContact CG-CE2 4Å; H190-W273 AromaticContact CG-CZ2 3.89Å
191	H	93.3	Very high	94.6	Very high	69 Å²	69	64.3 Å²	64.3	32%	0.319	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	106.7	-175.8	-34.4	74.2	0	0	0	108.3	T189 I193 A198 T199 R201	T189-H191 PolarHBondContact OG1-CE1 2.94Å; T189-H191 PolarHBondContact OG1-NE2 3Å; H191-I193 PolarHBondContact O-N 2.73Å; H191-A198 CarbonylContact O-C 3.59Å; H191-A198 WeakPolarHBondContact O-CA 3.42Å; H191-T199 PolarHBondContact N-O 3.37Å; H191-T199 PolarHBondContact ND1-O 2.88Å; H191-T199 PolarHBondContact O-N 2.8Å; H191-R201 PolarHBondContact CE1-NH1 3.07Å
192	P	92.9	Very high	94.8	Very high	101 Å²	101	61.5 Å²	61.5	66%	0.656	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.5	133.8	173.6	-22.1	32.6	0	0	0	111
193	I	91.8	Very high	94.8	Very high	93 Å²	93	61.4 Å²	61.4	48%	0.477	32%	0.316	S	S	.	.			trans	-99.4	-43.8	172.4	-51.4	172.1	0	0	0	109	H191 E197 T199 V247	H191-I193 PolarHBondContact O-N 2.73Å; I193-E197 WeakPolarHBondContact CA-O 3.41Å; I193-E197 HydrophobicContact CB-CB 4.48Å; I193-E197 WeakPolarHBondContact CB-O 3.34Å; I193-E197 HydrophobicContact CD1-CB 4.45Å; I193-E197 PolarHBondContact N-O 2.88Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.42Å; I193-V247 HydrophobicContact CD1-CG1 3.89Å; I193-V247 HydrophobicContact CD1-CG2 4.01Å
194	S	92	Very high	94.9	Very high	56 Å²	56	58.4 Å²	58.4	39%	0.392	30%	0.296	S	S	.	.	S	Bend	trans	-149.1	-178.2	177.7	70.7	0	0	0	0	110.1	H196 E197	S194-H196 PolarHBondContact O-N 2.78Å; S194-H196 PolarHBondContact OG-N 2.92Å; S194-H196 VanDerWaalsContact OG-N 3.11Å; S194-E197 PolarHBondContact N-O 2.69Å; S194-E197 PolarHBondContact OG-N 2.89Å
195	D	88.4	Confident	94.9	Very high	150 Å²	150	60.7 Å²	60.7	80%	0.802	31%	0.308	S	S	*	.	S	Bend	trans	-62.8	-16.9	170.6	-62.4	-33.4	0	0	0	112.8	S250	D195-S250 WeakPolarHBondContact O-CB 3.34Å; D195-S250 PolarHBondContact O-OG 2.88Å
196	H	91.8	Very high	94.9	Very high	141 Å²	141	54.1 Å²	54.1	65%	0.653	28%	0.284	S	S	*	.	S	Bend	trans	-108.4	-16.7	-174.1	-55.4	-34.4	0	0	0	114.5	S194 P249 S250	S194-H196 PolarHBondContact O-N 2.78Å; S194-H196 PolarHBondContact OG-N 2.92Å; S194-H196 VanDerWaalsContact OG-N 3.11Å; H196-P249 WeakPolarHBondContact O-CA 3.42Å; H196-S250 WeakPolarHBondContact CA-OG 3.39Å; H196-S250 PolarHBondContact O-N 3.38Å; H196-S250 PolarHBondContact O-OG 3.44Å
197	E	94.1	Very high	94.9	Very high	95 Å²	95	52.3 Å²	52.3	44%	0.444	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	143.8	-170.8	-67.7	178.2	179	0	0	112.7	I193 S194 V247 V248 S250	I193-E197 WeakPolarHBondContact CA-O 3.41Å; I193-E197 HydrophobicContact CB-CB 4.48Å; I193-E197 WeakPolarHBondContact CB-O 3.34Å; I193-E197 HydrophobicContact CD1-CB 4.45Å; I193-E197 PolarHBondContact N-O 2.88Å; S194-E197 PolarHBondContact N-O 2.69Å; S194-E197 PolarHBondContact OG-N 2.89Å; E197-V247 HydrophobicContact CB-CG1 4.08Å; E197-V247 HydrophobicContact CG-CG1 4.29Å; E197-V248 WeakPolarHBondContact CA-O 3.34Å; E197-S250 PolarHBondContact N-OG 2.86Å
198	A	94.4	Very high	95	Very high	2 Å²	2	48.8 Å²	48.8	2%	0.017	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.5	173.7	0	0	0	0	0	112	H190 H191 V247 V248	H190-A198 VanDerWaalsContact NE2-CB 3.3Å; H190-A198 WeakPolarHBondContact NE2-CB 3.4Å; H191-A198 CarbonylContact O-C 3.59Å; H191-A198 WeakPolarHBondContact O-CA 3.42Å; A198-V247 WeakPolarHBondContact O-CA 3.48Å; A198-V248 PolarHBondContact N-O 2.86Å; A198-V248 PolarHBondContact O-N 2.99Å
199	T	95.9	Very high	95	Very high	26 Å²	26	48.7 Å²	48.7	16%	0.16	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	113	168.5	-49.3	0	0	0	0	110.3	H191 I193 A245 V246	H191-T199 PolarHBondContact N-O 3.37Å; H191-T199 PolarHBondContact ND1-O 2.88Å; H191-T199 PolarHBondContact O-N 2.8Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.42Å; T199-A245 HydrophobicContact CG2-CB 3.83Å; T199-V246 WeakPolarHBondContact CA-O 3.4Å
200	L	96.3	Very high	95.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	123.4	161.5	-68.3	179.8	0	0	0	109	M188 H190 W216 A245 V246 V248 E253 W273	M188-L200 HydrophobicContact CE-CB 4.43Å; M188-L200 HydrophobicContact CE-CD1 4.16Å; M188-L200 HydrophobicContact CE-CD2 4.1Å; M188-L200 HydrophobicContact CE-CG 4.48Å; H190-L200 HydrophobicContact CB-CD2 4.04Å; L200-W216 HydrophobicContact CB-CH2 3.69Å; L200-W216 HydrophobicContact CB-CZ2 3.97Å; L200-W216 HydrophobicContact CD1-CH2 4.04Å; L200-W216 HydrophobicContact CD1-CZ3 4.28Å; L200-A245 CarbonylContact O-C 3.58Å; L200-A245 WeakPolarHBondContact O-CA 3.38Å; L200-V246 HydrophobicContact CB-CG2 4.26Å; L200-V246 PolarHBondContact N-O 3.19Å; L200-V246 PolarHBondContact O-N 2.82Å; L200-V248 HydrophobicContact CD1-CG1 3.97Å; L200-V248 HydrophobicContact CD1-CG2 4.03Å; L200-V248 HydrophobicContact CG-CG1 4.26Å; L200-V248 HydrophobicContact CG-CG2 3.92Å; L200-E253 HydrophobicContact CD1-CB 4.08Å; L200-W273 HydrophobicContact CD1-CB 4.25Å; L200-W273 HydrophobicContact CD2-CB 3.89Å; L200-W273 HydrophobicContact CD2-CD2 3.99Å; L200-W273 HydrophobicContact CD2-CE3 4.32Å; L200-W273 HydrophobicContact CD2-CG 3.79Å
201	R	97.1	Very high	95.2	Very high	44 Å²	44	51.4 Å²	51.4	17%	0.166	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	119.6	173.1	-175.8	173.7	-73.8	111.7	4.4	110	M188 T189 H191 W203 E228 W243 A245	M188-R201 CarbonylContact C-O 3.58Å; M188-R201 WeakPolarHBondContact CA-O 3.47Å; T189-R201 PolarHBondContact N-O 2.73Å; T189-R201 PolarHBondContact O-N 2.72Å; H191-R201 PolarHBondContact CE1-NH1 3.07Å; R201-W203 VanDerWaalsContact CD-CZ2 3.49Å; R201-W203 HydrophobicContact CG-CZ2 4.4Å; R201-E228 IonicContact NH2-OE2 3.61Å; R201-E228 PolarHBondContact NH2-OE2 3.14Å; R201-W243 HydrophobicContact CG-CB 4Å; R201-W243 HydrophobicContact CG-CD2 4.01Å; R201-W243 HydrophobicContact CG-CE3 3.75Å; R201-W243 HydrophobicContact CG-CG 4.18Å; R201-W243 HydrophobicContact CG-CZ3 4.49Å; R201-A245 HydrophobicContact CB-CB 3.94Å; R201-A245 HydrophobicContact CG-CB 4.05Å
202	C	97.3	Very high	95.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.3	173.1	-177.7	0	0	0	0	109.4	M188 W216 W243 A244 C258	M188-C202 HydrophobicContact CG-CB 4.33Å; C202-W216 HydrophobicContact CB-CH2 4.43Å; C202-W216 HydrophobicContact CB-CZ2 3.63Å; C202-W243 CarbonylContact O-C 3.53Å; C202-W243 WeakPolarHBondContact O-CA 3.38Å; C202-W243 WeakPolarHBondContact O-CB 3.23Å; C202-A244 PolarHBondContact N-O 3.38Å; C202-A244 PolarHBondContact O-N 2.91Å; C202-C258 HydrophobicContact CB-CB 3.47Å; C202-C258 VanDerWaalsContact CB-CB 3.47Å; C202-C258 WeakPolarHBondContact CB-SG 3.47Å; C202-C258 WeakPolarHBondContact SG-CB 3.32Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 3.17Å
203	W	97.9	Very high	95.6	Very high	49 Å²	49	46.4 Å²	46.4	19%	0.186	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	143.7	-178.6	-66.1	87.3	0	0	0	111.1	T186 H187 T189 R201 L205 W243	T186-W203 WeakPolarHBondContact CA-O 3.36Å; H187-W203 VanDerWaalsContact CE1-CB 3.42Å; H187-W203 WeakPolarHBondContact CE1-CB 3.41Å; H187-W203 AromaticContact CE1-CD1 3.8Å; H187-W203 AromaticContact CE1-CG 3.56Å; H187-W203 PolarHBondContact N-O 3.08Å; H187-W203 AromaticContact NE2-CD1 3.5Å; H187-W203 AromaticContact NE2-CG 3.73Å; H187-W203 PolarHBondContact O-N 3.31Å; T189-W203 PolarHBondContact OG1-NE1 2.9Å; R201-W203 VanDerWaalsContact CD-CZ2 3.49Å; R201-W203 HydrophobicContact CG-CZ2 4.4Å; W203-L205 HydrophobicContact CE3-CD2 4.05Å; W203-W243 HydrophobicContact CD2-CB 3.96Å; W203-W243 HydrophobicContact CD2-CG 4.38Å; W203-W243 HydrophobicContact CE3-CB 3.87Å; W203-W243 AromaticContact CE3-CD1 3.69Å; W203-W243 HydrophobicContact CE3-CG 4.05Å; W203-W243 HydrophobicContact CG-CB 4.31Å; W203-W243 AromaticContact CH2-CD1 3.82Å; W203-W243 HydrophobicContact CH2-CG 4.41Å; W203-W243 HydrophobicContact CZ3-CB 4.4Å; W203-W243 AromaticContact CZ3-CD1 3.36Å; W203-W243 HydrophobicContact CZ3-CG 4.08Å
204	A	98.2	Very high	95.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.6	161	0	0	0	0	0	108.2	P184 T186 F207 I212 L214 Q241 K242	P184-A204 HydrophobicContact CB-CB 3.8Å; T186-A204 HydrophobicContact CG2-CB 4.48Å; A204-F207 HydrophobicContact CB-CD1 4.06Å; A204-F207 HydrophobicContact CB-CE1 3.77Å; A204-F207 WeakPolarHBondContact O-CE1 3.45Å; A204-I212 HydrophobicContact CB-CD1 3.77Å; A204-L214 HydrophobicContact CB-CD1 4.04Å; A204-L214 HydrophobicContact CB-CD2 4.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.49Å; A204-K242 PolarHBondContact N-O 2.87Å; A204-K242 PolarHBondContact O-N 2.84Å
205	L	98.1	Very high	96	Very high	56 Å²	56	41.6 Å²	41.6	29%	0.293	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146	-176.7	-60.7	179.1	0	0	0	111.5	K185 W203 Q241	K185-L205 WeakPolarHBondContact CB-O 3.29Å; K185-L205 PolarHBondContact N-O 2.82Å; K185-L205 PolarHBondContact O-N 2.76Å; W203-L205 HydrophobicContact CE3-CD2 4.05Å; L205-Q241 HydrophobicContact CD2-CB 3.58Å
206	G	97.3	Very high	96.4	Very high	17 Å²	17	34.5 Å²	34.5	18%	0.175	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.7	35	167	0	0	0	0	0	114.4	T239 F240	G206-T239 WeakPolarHBondContact CA-OG1 3.42Å; G206-F240 PolarHBondContact N-O 2.72Å
207	F	97.6	Very high	96.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	159.1	-178.5	58.8	-91.4	0	0	0	113.5	D182 P184 A204 P209 I212 T232 T239 F240 K242 H262	D182-F207 WeakPolarHBondContact O-CA 3.05Å; D182-F207 VanDerWaalsContact O-CB 3.3Å; D182-F207 WeakPolarHBondContact O-CB 3.23Å; P184-F207 HydrophobicContact CB-CB 3.96Å; P184-F207 HydrophobicContact CB-CD1 3.89Å; P184-F207 HydrophobicContact CB-CG 4.19Å; A204-F207 HydrophobicContact CB-CD1 4.06Å; A204-F207 HydrophobicContact CB-CE1 3.77Å; A204-F207 WeakPolarHBondContact O-CE1 3.45Å; F207-P209 WeakPolarHBondContact CD2-O 3.19Å; F207-I212 HydrophobicContact CD1-CD1 3.94Å; F207-I212 HydrophobicContact CD2-CB 4.39Å; F207-I212 HydrophobicContact CD2-CD1 4Å; F207-I212 HydrophobicContact CE1-CD1 3.82Å; F207-I212 HydrophobicContact CE1-CG2 4.49Å; F207-I212 HydrophobicContact CE2-CB 3.84Å; F207-I212 HydrophobicContact CE2-CD1 3.89Å; F207-I212 HydrophobicContact CE2-CG1 4.46Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 4.04Å; F207-I212 HydrophobicContact CZ-CB 4.22Å; F207-I212 HydrophobicContact CZ-CD1 3.83Å; F207-I212 HydrophobicContact CZ-CG2 3.57Å; F207-T232 HydrophobicContact CE2-CG2 4.01Å; F207-T232 HydrophobicContact CZ-CG2 3.87Å; F207-T239 CarbonylContact O-C 3.5Å; F207-T239 WeakPolarHBondContact O-CA 3.41Å; F207-F240 VanDerWaalsContact CD1-O 3.31Å; F207-F240 WeakPolarHBondContact CD1-O 3.41Å; F207-F240 HydrophobicContact CD2-CB 3.88Å; F207-F240 HydrophobicContact CE1-CB 4.36Å; F207-F240 WeakPolarHBondContact CE1-O 3.33Å; F207-F240 HydrophobicContact CE2-CB 3.46Å; F207-F240 VanDerWaalsContact CE2-CB 3.46Å; F207-F240 HydrophobicContact CG-CB 4.47Å; F207-F240 HydrophobicContact CZ-CB 3.71Å; F207-F240 PolarHBondContact N-O 2.88Å; F207-F240 PolarHBondContact O-N 3.21Å; F207-K242 HydrophobicContact CE1-CB 4.41Å; F207-K242 HydrophobicContact CZ-CB 4.11Å; F207-H262 AromaticContact CD2-CD2 3.95Å; F207-H262 AromaticContact CD2-NE2 3.72Å
208	Y	96.3	Very high	96.7	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.016	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-154	134.6	175.4	-178.8	-84	0	0	0	109.4	T30 R180 T181 D182 G238 F240 H262	T30-Y208 WeakPolarHBondContact OG1-CE2 3.48Å; T30-Y208 PolarHBondContact OG1-OH 2.76Å; T30-Y208 VanDerWaalsContact OG1-OH 3.05Å; R180-Y208 HydrophobicContact CG-CD1 3.69Å; R180-Y208 HydrophobicContact CG-CE1 4.11Å; R180-Y208 HydrophobicContact CG-CG 4.43Å; T181-Y208 CarbonylContact C-O 3.59Å; T181-Y208 WeakPolarHBondContact CA-O 3.21Å; D182-Y208 PolarHBondContact N-O 3.42Å; D182-Y208 PolarHBondContact O-N 2.75Å; D182-Y208 VanDerWaalsContact O-N 3.07Å; Y208-G238 WeakPolarHBondContact CD2-O 3.39Å; Y208-F240 HydrophobicContact CD2-CD2 4.44Å; Y208-F240 HydrophobicContact CD2-CE2 4.03Å; Y208-F240 HydrophobicContact CE2-CE2 4.44Å; Y208-H262 PolarHBondContact O-CE1 3.01Å; Y208-H262 VanDerWaalsContact O-CE1 3.25Å
209	P	95.5	Very high	96.7	Very high	21 Å²	21	33.4 Å²	33.4	14%	0.136	17%	0.171	C	C	.	.	S	Bend	cis	-71.2	179.2	1.6	31.7	-37.8	0	0	0	113	D29 F207 E211 H262	D29-P209 WeakPolarHBondContact OD2-CB 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.19Å; P209-E211 VanDerWaalsContact C-N 3.34Å; P209-H262 PolarHBondContact O-NE2 3.38Å
210	A	96.3	Very high	96.4	Very high	13 Å²	13	34.4 Å²	34.4	11%	0.107	19%	0.187	C	C	.	.	S	Bend	trans	-73	-21.8	-176.9	0	0	0	0	0	114.2	D29 I212 T232 F240	D29-A210 HydrophobicContact CB-CB 4.16Å; D29-A210 VanDerWaalsContact CG-CB 3.41Å; D29-A210 WeakPolarHBondContact OD2-CB 3.16Å; D29-A210 PolarHBondContact OD2-N 3.06Å; A210-I212 PolarHBondContact O-N 3.14Å; A210-T232 HydrophobicContact CB-CG2 4.21Å; A210-T232 WeakPolarHBondContact O-CG2 3.24Å; A210-F240 HydrophobicContact CB-CB 4.48Å; A210-F240 HydrophobicContact CB-CD1 3.72Å; A210-F240 HydrophobicContact CB-CD2 3.68Å; A210-F240 HydrophobicContact CB-CE1 3.84Å; A210-F240 HydrophobicContact CB-CE2 3.81Å; A210-F240 HydrophobicContact CB-CG 3.66Å; A210-F240 HydrophobicContact CB-CZ 3.91Å
211	E	96.2	Very high	96.3	Very high	142 Å²	142	40.4 Å²	40.4	66%	0.664	22%	0.215	S	C	*	.			trans	-65.5	114.4	179.2	-175.9	49.9	-126.7	0	0	110.7	P209 H262	P209-E211 VanDerWaalsContact C-N 3.34Å; E211-H262 PolarHBondContact O-CD2 3.05Å; E211-H262 VanDerWaalsContact O-CD2 3.25Å
212	I	97.3	Very high	96.1	Very high	9 Å²	9	42.8 Å²	42.8	5%	0.046	23%	0.231	C	C	.	.			trans	-153.2	133.2	-175.8	-163.5	172	0	0	0	110.7	P184 A204 F207 A210 L214 K242 V260 Q261 H262	P184-I212 HydrophobicContact CB-CD1 4.05Å; P184-I212 HydrophobicContact CG-CD1 4.09Å; A204-I212 HydrophobicContact CB-CD1 3.77Å; F207-I212 HydrophobicContact CD1-CD1 3.94Å; F207-I212 HydrophobicContact CD2-CB 4.39Å; F207-I212 HydrophobicContact CD2-CD1 4Å; F207-I212 HydrophobicContact CE1-CD1 3.82Å; F207-I212 HydrophobicContact CE1-CG2 4.49Å; F207-I212 HydrophobicContact CE2-CB 3.84Å; F207-I212 HydrophobicContact CE2-CD1 3.89Å; F207-I212 HydrophobicContact CE2-CG1 4.46Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 4.04Å; F207-I212 HydrophobicContact CZ-CB 4.22Å; F207-I212 HydrophobicContact CZ-CD1 3.83Å; F207-I212 HydrophobicContact CZ-CG2 3.57Å; A210-I212 PolarHBondContact O-N 3.14Å; I212-L214 HydrophobicContact CD1-CD1 3.75Å; I212-L214 HydrophobicContact CG1-CD1 3.74Å; I212-L214 HydrophobicContact CG2-CD1 4.28Å; I212-K242 HydrophobicContact CG2-CB 4.24Å; I212-K242 HydrophobicContact CG2-CD 3.52Å; I212-V260 HydrophobicContact CD1-CG1 4.05Å; I212-V260 HydrophobicContact CG1-CG1 4.38Å; I212-Q261 WeakPolarHBondContact CG1-O 3.41Å; I212-H262 HydrophobicContact CD1-CB 4.22Å; I212-H262 HydrophobicContact CG1-CB 4.03Å
213	T	97.3	Very high	95.9	Very high	57 Å²	57	43.4 Å²	43.4	35%	0.35	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	120.9	173.7	-66.5	0	0	0	0	109.9	T215 V260 Q261	T213-T215 HydrophobicContact CG2-CG2 3.94Å; T213-V260 WeakPolarHBondContact O-CA 3.48Å; T213-Q261 PolarHBondContact N-O 3.06Å; T213-Q261 PolarHBondContact O-N 3.44Å
214	L	97.3	Very high	95.2	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121.4	169	-91.8	61.1	0	0	0	107.8	A204 I212 L229 K242 A244 H259 V260	A204-L214 HydrophobicContact CB-CD1 4.04Å; A204-L214 HydrophobicContact CB-CD2 4.3Å; I212-L214 HydrophobicContact CD1-CD1 3.75Å; I212-L214 HydrophobicContact CG1-CD1 3.74Å; I212-L214 HydrophobicContact CG2-CD1 4.28Å; L214-L229 HydrophobicContact CB-CD1 4.07Å; L214-K242 HydrophobicContact CD1-CD 4.32Å; L214-K242 HydrophobicContact CD2-CB 4.29Å; L214-K242 HydrophobicContact CD2-CD 4.42Å; L214-K242 HydrophobicContact CD2-CG 4.32Å; L214-A244 HydrophobicContact CB-CB 4.08Å; L214-A244 HydrophobicContact CD2-CB 4.28Å; L214-H259 WeakPolarHBondContact CA-O 3.43Å; L214-V260 HydrophobicContact CD1-CG1 3.96Å; L214-V260 HydrophobicContact CD1-CG2 4.28Å; L214-V260 HydrophobicContact CG-CG2 4.22Å
215	T	96.4	Very high	94.5	Very high	41 Å²	41	55.4 Å²	55.4	25%	0.252	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	155	175	54.6	0	0	0	0	111.6	T213 C258 H259	T213-T215 HydrophobicContact CG2-CG2 3.94Å; T215-C258 CarbonylContact O-C 3.55Å; T215-C258 WeakPolarHBondContact O-CA 3.49Å; T215-H259 PolarHBondContact N-O 2.85Å; T215-H259 PolarHBondContact O-N 3Å
216	W	96.8	Very high	93.8	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.008	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.2	173.1	-83.7	102.9	0	0	0	110.6	M188 L200 C202 Q223 A244 V246 T257 C258	M188-W216 HydrophobicContact CE-CH2 3.6Å; M188-W216 HydrophobicContact CE-CZ3 4.35Å; M188-W216 HydrophobicContact SD-CH2 4.18Å; L200-W216 HydrophobicContact CB-CH2 3.69Å; L200-W216 HydrophobicContact CB-CZ2 3.97Å; L200-W216 HydrophobicContact CD1-CH2 4.04Å; L200-W216 HydrophobicContact CD1-CZ3 4.28Å; C202-W216 HydrophobicContact CB-CH2 4.43Å; C202-W216 HydrophobicContact CB-CZ2 3.63Å; W216-Q223 HydrophobicContact CB-CB 4.31Å; W216-Q223 PolarHBondContact O-N 2.89Å; W216-A244 VanDerWaalsContact NE1-C 3.32Å; W216-A244 PolarHBondContact NE1-O 3.07Å; W216-V246 HydrophobicContact CB-CG1 3.79Å; W216-V246 HydrophobicContact CD2-CG1 4.15Å; W216-V246 HydrophobicContact CD2-CG2 3.64Å; W216-V246 HydrophobicContact CE3-CG2 3.9Å; W216-V246 HydrophobicContact CG-CB 4.49Å; W216-V246 HydrophobicContact CG-CG1 3.62Å; W216-V246 HydrophobicContact CG-CG2 4.05Å; W216-V246 HydrophobicContact CH2-CG2 4.23Å; W216-V246 HydrophobicContact CZ2-CG2 4.01Å; W216-V246 HydrophobicContact CZ3-CG2 4.2Å; W216-T257 WeakPolarHBondContact CA-O 3.03Å; W216-T257 VanDerWaalsContact CE3-C 3.41Å; W216-T257 VanDerWaalsContact CE3-O 3.3Å; W216-C258 HydrophobicContact CD2-CB 4.16Å; W216-C258 HydrophobicContact CE3-CB 4.13Å; W216-C258 HydrophobicContact CH2-CB 4.09Å; W216-C258 HydrophobicContact CZ2-CB 4.11Å; W216-C258 HydrophobicContact CZ3-CB 4.08Å
217	Q	96.5	Very high	93.5	Very high	39 Å²	39	58.6 Å²	58.6	18%	0.182	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.9	173.2	-73.2	-177.8	-9.4	0	0	111.1	E221 D222 Y256 T257 H259	Q217-E221 CarbonylContact C-O 3.54Å; Q217-E221 WeakPolarHBondContact CA-O 3.21Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.45Å; Q217-D222 PolarHBondContact NE2-OD1 3.38Å; Q217-Y256 CarbonylContact O-C 3.58Å; Q217-Y256 WeakPolarHBondContact O-CA 3.36Å; Q217-T257 PolarHBondContact N-O 3.18Å; Q217-T257 PolarHBondContact O-N 3.25Å; Q217-T257 PolarHBondContact O-OG1 2.69Å; Q217-T257 VanDerWaalsContact O-OG1 3.1Å; Q217-H259 WeakPolarHBondContact CB-NE2 3.42Å; Q217-H259 WeakPolarHBondContact CG-NE2 3.32Å; Q217-H259 PolarHBondContact OE1-NE2 3.5Å
218	R	95.6	Very high	93.4	Very high	71 Å²	71	63.9 Å²	63.9	27%	0.268	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.8	168.1	-178.4	-174.7	62.2	-139.5	-10.9	108.6	G220 E221 Q223 R255 Y256	R218-G220 PolarHBondContact O-N 3.37Å; R218-E221 PolarHBondContact N-O 3.23Å; R218-E221 IonicContact NH2-OE2 3.99Å; R218-E221 PolarHBondContact O-N 3.38Å; R218-Q223 HydrophobicContact CB-CG 3.94Å; R218-Q223 VanDerWaalsContact NH1-OE1 3.16Å; R218-R255 WeakPolarHBondContact CA-O 3.39Å; R218-R255 HydrophobicContact CG-CB 4.09Å; R218-Y256 HydrophobicContact CB-CD1 4.11Å; R218-Y256 HydrophobicContact CB-CE1 3.98Å; R218-Y256 HydrophobicContact CG-CD2 4.41Å; R218-Y256 HydrophobicContact CG-CE1 4.27Å; R218-Y256 HydrophobicContact CG-CE2 4.1Å
219	D	93.3	Very high	93.3	Very high	104 Å²	104	68 Å²	68	56%	0.556	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	16.1	-175.7	-56	-42.6	0	0	0	115.5	R255	D219-R255 PolarHBondContact N-O 3.47Å; D219-R255 WeakPolarHBondContact OD1-CB 3.43Å; D219-R255 IonicContact OD1-NE 3.32Å; D219-R255 IonicContact OD2-CZ 3.42Å; D219-R255 IonicContact OD2-NE 2.76Å; D219-R255 PolarHBondContact OD2-NE 2.83Å; D219-R255 IonicContact OD2-NH2 3.38Å; D219-R255 PolarHBondContact OD2-NH2 3.41Å
220	G	89.8	Confident	93.3	Very high	47 Å²	47	68.7 Å²	68.7	49%	0.485	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	107	-6.1	-176	0	0	0	0	0	115.3	R218	R218-G220 PolarHBondContact O-N 3.37Å
221	E	93.8	Very high	93.3	Very high	127 Å²	127	76.3 Å²	76.3	59%	0.593	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	125.4	175.4	-60.5	-176.6	152.2	0	0	111.3	Q217 R218 Q223	Q217-E221 CarbonylContact C-O 3.54Å; Q217-E221 WeakPolarHBondContact CA-O 3.21Å; R218-E221 PolarHBondContact N-O 3.23Å; R218-E221 IonicContact NH2-OE2 3.99Å; R218-E221 PolarHBondContact O-N 3.38Å; E221-Q223 PolarHBondContact O-N 3.12Å; E221-Q223 PolarHBondContact O-NE2 2.89Å
222	D	93.8	Very high	93.3	Very high	94 Å²	94	71.8 Å²	71.8	50%	0.503	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	131.6	178.4	-66.4	-43.3	0	0	0	112.2	Q217	Q217-D222 WeakPolarHBondContact CG-OD1 3.45Å; Q217-D222 PolarHBondContact NE2-OD1 3.38Å
223	Q	92.8	Very high	93.3	Very high	12 Å²	12	76 Å²	76	6%	0.056	40%	0.395	C	S	.	.			trans	-103.4	37.3	-175.7	-54.6	-61.9	-88	0	0	112.1	W216 R218 E221 Q225 D226 T227 Y256	W216-Q223 HydrophobicContact CB-CB 4.31Å; W216-Q223 PolarHBondContact O-N 2.89Å; R218-Q223 HydrophobicContact CB-CG 3.94Å; R218-Q223 VanDerWaalsContact NH1-OE1 3.16Å; E221-Q223 PolarHBondContact O-N 3.12Å; E221-Q223 PolarHBondContact O-NE2 2.89Å; Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.02Å; Q223-D226 PolarHBondContact O-N 3.46Å; Q223-T227 PolarHBondContact O-N 3.13Å; Q223-T227 PolarHBondContact O-OG1 2.77Å; Q223-Y256 HydrophobicContact CG-CE1 4.31Å
224	T	83.8	Confident	93.2	Very high	108 Å²	108	77.4 Å²	77.4	66%	0.663	41%	0.405	S	S	*	.			trans	-61.9	-29.6	-165.4	-42.7	0	0	0	0	114.6
225	Q	83.7	Confident	93.1	Very high	193 Å²	193	79.6 Å²	79.6	90%	0.902	42%	0.424	S	S	*	.	S	Bend	trans	-80.4	-32.1	179.1	-63.7	-173.5	12.2	0	0	112.6	Q223 T227	Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.02Å; Q225-T227 VanDerWaalsContact C-N 3.3Å
226	D	82.6	Confident	93	Very high	117 Å²	117	81.2 Å²	81.2	63%	0.626	45%	0.449	S	S	*	.	S	Bend	trans	-90.8	6.2	-179.2	-50.5	-69.6	0	0	0	112.7	Q223	Q223-D226 PolarHBondContact O-N 3.46Å
227	T	91.1	Very high	92.7	Very high	24 Å²	24	86.6 Å²	86.6	15%	0.147	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	117.2	-178.8	-62.3	0	0	0	0	112	Q223 Q225 L229 A244 A245 V246	Q223-T227 PolarHBondContact O-N 3.13Å; Q223-T227 PolarHBondContact O-OG1 2.77Å; Q225-T227 VanDerWaalsContact C-N 3.3Å; T227-L229 HydrophobicContact CG2-CB 4.18Å; T227-L229 PolarHBondContact O-N 2.89Å; T227-L229 VanDerWaalsContact O-N 3.12Å; T227-A244 HydrophobicContact CG2-CB 3.98Å; T227-A245 CarbonylContact C-O 3.55Å; T227-A245 WeakPolarHBondContact CA-O 3.41Å; T227-V246 HydrophobicContact CG2-CG1 4.49Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.26Å
228	E	94.6	Very high	92.4	Very high	110 Å²	110	86.5 Å²	86.5	51%	0.514	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	94.3	162.6	-174.7	-171.3	-152.9	0	0	109.1	R201 W243 A244 A245	R201-E228 IonicContact NH2-OE2 3.61Å; R201-E228 PolarHBondContact NH2-OE2 3.14Å; E228-W243 HydrophobicContact CB-CZ3 4.29Å; E228-W243 HydrophobicContact CG-CH2 3.91Å; E228-W243 HydrophobicContact CG-CZ3 3.75Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.43Å; E228-W243 WeakPolarHBondContact OE2-CZ3 3.32Å; E228-A244 CarbonylContact O-C 3.58Å; E228-A244 WeakPolarHBondContact O-CA 3.26Å; E228-A245 HydrophobicContact CB-CB 4.32Å; E228-A245 PolarHBondContact N-O 3.36Å; E228-A245 PolarHBondContact O-N 3.13Å
229	L	95	Very high	92.5	Very high	91 Å²	91	83.9 Å²	83.9	48%	0.476	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.7	177.3	-176.5	68.4	0	0	0	110.4	L214 T227 A244	L214-L229 HydrophobicContact CB-CD1 4.07Å; T227-L229 HydrophobicContact CG2-CB 4.18Å; T227-L229 PolarHBondContact O-N 2.89Å; T227-L229 VanDerWaalsContact O-N 3.12Å; L229-A244 HydrophobicContact CD1-CB 3.67Å
230	V	95.6	Very high	92.7	Very high	35 Å²	35	80.1 Å²	80.1	21%	0.212	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-86	153.1	174.1	-63.6	0	0	0	0	112.6	K242 W243	V230-K242 HydrophobicContact CG2-CG 4.45Å; V230-K242 WeakPolarHBondContact O-CE 3.46Å; V230-K242 WeakPolarHBondContact O-CG 3.01Å; V230-K242 PolarHBondContact O-NZ 3.18Å; V230-W243 HydrophobicContact CG1-CD2 4.07Å; V230-W243 HydrophobicContact CG1-CE3 4.34Å; V230-W243 HydrophobicContact CG1-CH2 3.74Å; V230-W243 HydrophobicContact CG1-CZ2 3.4Å; V230-W243 VanDerWaalsContact CG1-CZ2 3.4Å; V230-W243 HydrophobicContact CG1-CZ3 4.18Å; V230-W243 HydrophobicContact CG2-CD2 3.84Å; V230-W243 HydrophobicContact CG2-CG 3.81Å; V230-W243 WeakPolarHBondContact CG2-O 3.42Å; V230-W243 PolarHBondContact N-O 2.87Å
231	E	95.6	Very high	93.1	Very high	173 Å²	173	79.9 Å²	79.9	81%	0.808	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-55.4	151.6	165.7	-65.4	-173.7	155	0	0	111.3	R233	E231-R233 PolarHBondContact O-N 3.27Å
232	T	97.1	Very high	93.3	Very high	47 Å²	47	74.9 Å²	74.9	29%	0.288	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-73	127.3	175.2	-55.3	0	0	0	0	108.5	F207 A210 F240 K242	F207-T232 HydrophobicContact CE2-CG2 4.01Å; F207-T232 HydrophobicContact CZ-CG2 3.87Å; A210-T232 HydrophobicContact CB-CG2 4.21Å; A210-T232 WeakPolarHBondContact O-CG2 3.24Å; T232-F240 HydrophobicContact CG2-CB 3.86Å; T232-F240 HydrophobicContact CG2-CD1 4.11Å; T232-F240 HydrophobicContact CG2-CG 4.26Å; T232-K242 WeakPolarHBondContact OG1-CD 3.02Å; T232-K242 PolarHBondContact OG1-NZ 3.45Å
233	R	96.3	Very high	93.5	Very high	97 Å²	97	71.5 Å²	71.5	37%	0.366	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.8	-175.1	70.3	-162.9	-176.1	-172.7	4.4	110.9	E231 Q241	E231-R233 PolarHBondContact O-N 3.27Å; R233-Q241 HydrophobicContact CG-CG 3.67Å; R233-Q241 PolarHBondContact N-O 2.95Å; R233-Q241 VanDerWaalsContact NE-CD 3.27Å; R233-Q241 VanDerWaalsContact O-CG 3.27Å; R233-Q241 WeakPolarHBondContact O-CG 3.13Å; R233-Q241 PolarHBondContact O-N 3.09Å
234	P	96.3	Very high	93.7	Very high	88 Å²	88	70.9 Å²	70.9	57%	0.571	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	153.5	176.6	27.5	-34.5	0	0	0	111.6	F240 Q241	P234-F240 HydrophobicContact CB-CD1 4.39Å; P234-F240 HydrophobicContact CB-CE1 4.13Å; P234-Q241 PolarHBondContact O-NE2 3.44Å; P234-Q241 VanDerWaalsContact O-NE2 3.08Å
235	A	95.8	Very high	94.3	Very high	51 Å²	51	65.9 Å²	65.9	42%	0.421	37%	0.367	S	S	.	.			trans	-92.2	-19.8	168.7	0	0	0	0	0	112.7	D237 T239 Q241	A235-D237 WeakPolarHBondContact CB-OD1 3.23Å; A235-T239 WeakPolarHBondContact CB-O 3.24Å; A235-T239 PolarHBondContact N-O 2.03Å; A235-Q241 HydrophobicContact CB-CG 4.41Å
236	G	92.5	Very high	94.9	Very high	76 Å²	76	56.8 Å²	56.8	78%	0.784	33%	0.325	S	S	*	.	S	Bend	trans	98.8	-8.6	178.8	0	0	0	0	0	114.9
237	D	91.7	Very high	95.6	Very high	114 Å²	114	54.8 Å²	54.8	61%	0.61	32%	0.317	S	S	*	.	S	Bend	trans	-101.2	12.4	176.3	61.6	-1.8	0	0	0	113.1	A235 T239	A235-D237 WeakPolarHBondContact CB-OD1 3.23Å; D237-T239 WeakPolarHBondContact OD1-CB 3.44Å; D237-T239 PolarHBondContact OD1-N 2.85Å; D237-T239 PolarHBondContact OD1-OG1 2.83Å; D237-T239 PolarHBondContact OD2-OG1 3Å
238	G	90.8	Very high	95.8	Very high	38 Å²	38	53.7 Å²	53.7	39%	0.392	31%	0.31	S	S	.	.	S	Bend	trans	81.7	9.9	-171.6	0	0	0	0	0	114.4	R180 Y208	R180-G238 PolarHBondContact NH2-O 3.1Å; Y208-G238 WeakPolarHBondContact CD2-O 3.39Å
239	T	96.2	Very high	95.8	Very high	15 Å²	15	50.9 Å²	50.9	9%	0.092	30%	0.301	C	S	.	.			trans	-112.9	172	169.5	75.5	0	0	0	0	112.1	G206 F207 A235 D237	G206-T239 WeakPolarHBondContact CA-OG1 3.42Å; F207-T239 CarbonylContact O-C 3.5Å; F207-T239 WeakPolarHBondContact O-CA 3.41Å; A235-T239 WeakPolarHBondContact CB-O 3.24Å; A235-T239 PolarHBondContact N-O 2.03Å; D237-T239 WeakPolarHBondContact OD1-CB 3.44Å; D237-T239 PolarHBondContact OD1-N 2.85Å; D237-T239 PolarHBondContact OD1-OG1 2.83Å; D237-T239 PolarHBondContact OD2-OG1 3Å
240	F	97.7	Very high	95.5	Very high	25 Å²	25	49.3 Å²	49.3	11%	0.11	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	162.7	-175.8	-64.8	-82.8	0	0	0	112.9	D29 G206 F207 Y208 A210 T232 P234	D29-F240 HydrophobicContact CB-CE2 3.71Å; D29-F240 HydrophobicContact CB-CZ 3.55Å; G206-F240 PolarHBondContact N-O 2.72Å; F207-F240 VanDerWaalsContact CD1-O 3.31Å; F207-F240 WeakPolarHBondContact CD1-O 3.41Å; F207-F240 HydrophobicContact CD2-CB 3.88Å; F207-F240 HydrophobicContact CE1-CB 4.36Å; F207-F240 WeakPolarHBondContact CE1-O 3.33Å; F207-F240 HydrophobicContact CE2-CB 3.46Å; F207-F240 VanDerWaalsContact CE2-CB 3.46Å; F207-F240 HydrophobicContact CG-CB 4.47Å; F207-F240 HydrophobicContact CZ-CB 3.71Å; F207-F240 PolarHBondContact N-O 2.88Å; F207-F240 PolarHBondContact O-N 3.21Å; Y208-F240 HydrophobicContact CD2-CD2 4.44Å; Y208-F240 HydrophobicContact CD2-CE2 4.03Å; Y208-F240 HydrophobicContact CE2-CE2 4.44Å; A210-F240 HydrophobicContact CB-CB 4.48Å; A210-F240 HydrophobicContact CB-CD1 3.72Å; A210-F240 HydrophobicContact CB-CD2 3.68Å; A210-F240 HydrophobicContact CB-CE1 3.84Å; A210-F240 HydrophobicContact CB-CE2 3.81Å; A210-F240 HydrophobicContact CB-CG 3.66Å; A210-F240 HydrophobicContact CB-CZ 3.91Å; T232-F240 HydrophobicContact CG2-CB 3.86Å; T232-F240 HydrophobicContact CG2-CD1 4.11Å; T232-F240 HydrophobicContact CG2-CG 4.26Å; P234-F240 HydrophobicContact CB-CD1 4.39Å; P234-F240 HydrophobicContact CB-CE1 4.13Å
241	Q	97.9	Very high	95.2	Very high	42 Å²	42	50.6 Å²	50.6	20%	0.196	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	143.7	178.1	39.1	160.6	-25.4	0	0	110	A204 L205 R233 P234 A235	A204-Q241 WeakPolarHBondContact O-CA 3.49Å; L205-Q241 HydrophobicContact CD2-CB 3.58Å; R233-Q241 HydrophobicContact CG-CG 3.67Å; R233-Q241 PolarHBondContact N-O 2.95Å; R233-Q241 VanDerWaalsContact NE-CD 3.27Å; R233-Q241 VanDerWaalsContact O-CG 3.27Å; R233-Q241 WeakPolarHBondContact O-CG 3.13Å; R233-Q241 PolarHBondContact O-N 3.09Å; P234-Q241 PolarHBondContact O-NE2 3.44Å; P234-Q241 VanDerWaalsContact O-NE2 3.08Å; A235-Q241 HydrophobicContact CB-CG 4.41Å
242	K	98.3	Very high	95	Very high	22 Å²	22	45.3 Å²	45.3	10%	0.096	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	157.2	176.9	-161	-176.4	-169.3	65.9	0	109.1	A204 F207 I212 L214 V230 T232	A204-K242 PolarHBondContact N-O 2.87Å; A204-K242 PolarHBondContact O-N 2.84Å; F207-K242 HydrophobicContact CE1-CB 4.41Å; F207-K242 HydrophobicContact CZ-CB 4.11Å; I212-K242 HydrophobicContact CG2-CB 4.24Å; I212-K242 HydrophobicContact CG2-CD 3.52Å; L214-K242 HydrophobicContact CD1-CD 4.32Å; L214-K242 HydrophobicContact CD2-CB 4.29Å; L214-K242 HydrophobicContact CD2-CD 4.42Å; L214-K242 HydrophobicContact CD2-CG 4.32Å; V230-K242 HydrophobicContact CG2-CG 4.45Å; V230-K242 WeakPolarHBondContact O-CE 3.46Å; V230-K242 WeakPolarHBondContact O-CG 3.01Å; V230-K242 PolarHBondContact O-NZ 3.18Å; T232-K242 WeakPolarHBondContact OG1-CD 3.02Å; T232-K242 PolarHBondContact OG1-NZ 3.45Å
243	W	97.7	Very high	94.8	Very high	23 Å²	23	44.1 Å²	44.1	9%	0.087	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	159.2	168.2	56.8	-96.2	0	0	0	111.4	R201 C202 W203 E228 V230 A245	R201-W243 HydrophobicContact CG-CB 4Å; R201-W243 HydrophobicContact CG-CD2 4.01Å; R201-W243 HydrophobicContact CG-CE3 3.75Å; R201-W243 HydrophobicContact CG-CG 4.18Å; R201-W243 HydrophobicContact CG-CZ3 4.49Å; C202-W243 CarbonylContact O-C 3.53Å; C202-W243 WeakPolarHBondContact O-CA 3.38Å; C202-W243 WeakPolarHBondContact O-CB 3.23Å; W203-W243 HydrophobicContact CD2-CB 3.96Å; W203-W243 HydrophobicContact CD2-CG 4.38Å; W203-W243 HydrophobicContact CE3-CB 3.87Å; W203-W243 AromaticContact CE3-CD1 3.69Å; W203-W243 HydrophobicContact CE3-CG 4.05Å; W203-W243 HydrophobicContact CG-CB 4.31Å; W203-W243 AromaticContact CH2-CD1 3.82Å; W203-W243 HydrophobicContact CH2-CG 4.41Å; W203-W243 HydrophobicContact CZ3-CB 4.4Å; W203-W243 AromaticContact CZ3-CD1 3.36Å; W203-W243 HydrophobicContact CZ3-CG 4.08Å; E228-W243 HydrophobicContact CB-CZ3 4.29Å; E228-W243 HydrophobicContact CG-CH2 3.91Å; E228-W243 HydrophobicContact CG-CZ3 3.75Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.43Å; E228-W243 WeakPolarHBondContact OE2-CZ3 3.32Å; V230-W243 HydrophobicContact CG1-CD2 4.07Å; V230-W243 HydrophobicContact CG1-CE3 4.34Å; V230-W243 HydrophobicContact CG1-CH2 3.74Å; V230-W243 HydrophobicContact CG1-CZ2 3.4Å; V230-W243 VanDerWaalsContact CG1-CZ2 3.4Å; V230-W243 HydrophobicContact CG1-CZ3 4.18Å; V230-W243 HydrophobicContact CG2-CD2 3.84Å; V230-W243 HydrophobicContact CG2-CG 3.81Å; V230-W243 WeakPolarHBondContact CG2-O 3.42Å; V230-W243 PolarHBondContact N-O 2.87Å; W243-A245 HydrophobicContact CE3-CB 4.03Å; W243-A245 HydrophobicContact CZ3-CB 3.77Å
244	A	97.4	Very high	94.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131.1	174.1	0	0	0	0	0	108.3	C202 L214 W216 T227 E228 L229	C202-A244 PolarHBondContact N-O 3.38Å; C202-A244 PolarHBondContact O-N 2.91Å; L214-A244 HydrophobicContact CB-CB 4.08Å; L214-A244 HydrophobicContact CD2-CB 4.28Å; W216-A244 VanDerWaalsContact NE1-C 3.32Å; W216-A244 PolarHBondContact NE1-O 3.07Å; T227-A244 HydrophobicContact CG2-CB 3.98Å; E228-A244 CarbonylContact O-C 3.58Å; E228-A244 WeakPolarHBondContact O-CA 3.26Å; L229-A244 HydrophobicContact CD1-CB 3.67Å
245	A	96.9	Very high	94.5	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.017	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.3	178.6	0	0	0	0	0	112.3	T199 L200 R201 T227 E228 W243	T199-A245 HydrophobicContact CG2-CB 3.83Å; L200-A245 CarbonylContact O-C 3.58Å; L200-A245 WeakPolarHBondContact O-CA 3.38Å; R201-A245 HydrophobicContact CB-CB 3.94Å; R201-A245 HydrophobicContact CG-CB 4.05Å; T227-A245 CarbonylContact C-O 3.55Å; T227-A245 WeakPolarHBondContact CA-O 3.41Å; E228-A245 HydrophobicContact CB-CB 4.32Å; E228-A245 PolarHBondContact N-O 3.36Å; E228-A245 PolarHBondContact O-N 3.13Å; W243-A245 HydrophobicContact CE3-CB 4.03Å; W243-A245 HydrophobicContact CZ3-CB 3.77Å
246	V	96.8	Very high	94.5	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.1	173.2	-74.1	0	0	0	0	109.4	T199 L200 W216 T227 V248 Y256	T199-V246 WeakPolarHBondContact CA-O 3.4Å; L200-V246 HydrophobicContact CB-CG2 4.26Å; L200-V246 PolarHBondContact N-O 3.19Å; L200-V246 PolarHBondContact O-N 2.82Å; W216-V246 HydrophobicContact CB-CG1 3.79Å; W216-V246 HydrophobicContact CD2-CG1 4.15Å; W216-V246 HydrophobicContact CD2-CG2 3.64Å; W216-V246 HydrophobicContact CE3-CG2 3.9Å; W216-V246 HydrophobicContact CG-CB 4.49Å; W216-V246 HydrophobicContact CG-CG1 3.62Å; W216-V246 HydrophobicContact CG-CG2 4.05Å; W216-V246 HydrophobicContact CH2-CG2 4.23Å; W216-V246 HydrophobicContact CZ2-CG2 4.01Å; W216-V246 HydrophobicContact CZ3-CG2 4.2Å; T227-V246 HydrophobicContact CG2-CG1 4.49Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.26Å; V246-V248 HydrophobicContact CB-CG1 4.41Å; V246-V248 HydrophobicContact CG2-CG1 3.75Å; V246-Y256 HydrophobicContact CG2-CD1 4.06Å; V246-Y256 HydrophobicContact CG2-CE1 4.49Å
247	V	96.1	Very high	94.6	Very high	74 Å²	74	39.3 Å²	39.3	45%	0.448	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	131.7	164.3	-178.1	0	0	0	0	107.9	I193 E197 A198	I193-V247 HydrophobicContact CD1-CG1 3.89Å; I193-V247 HydrophobicContact CD1-CG2 4.01Å; E197-V247 HydrophobicContact CB-CG1 4.08Å; E197-V247 HydrophobicContact CG-CG1 4.29Å; A198-V247 WeakPolarHBondContact O-CA 3.48Å
248	V	94.9	Very high	94.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.5	-179.3	-51.5	0	0	0	0	110.5	E197 A198 L200 V246 E253 Y256	E197-V248 WeakPolarHBondContact CA-O 3.34Å; A198-V248 PolarHBondContact N-O 2.86Å; A198-V248 PolarHBondContact O-N 2.99Å; L200-V248 HydrophobicContact CD1-CG1 3.97Å; L200-V248 HydrophobicContact CD1-CG2 4.03Å; L200-V248 HydrophobicContact CG-CG1 4.26Å; L200-V248 HydrophobicContact CG-CG2 3.92Å; V246-V248 HydrophobicContact CB-CG1 4.41Å; V246-V248 HydrophobicContact CG2-CG1 3.75Å; V248-E253 HydrophobicContact CG2-CG 3.98Å; V248-Y256 HydrophobicContact CB-CD2 3.97Å; V248-Y256 HydrophobicContact CB-CE2 3.73Å; V248-Y256 HydrophobicContact CB-CG 4.5Å; V248-Y256 HydrophobicContact CG1-CD1 3.69Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.69Å; V248-Y256 HydrophobicContact CG1-CE2 3.62Å; V248-Y256 HydrophobicContact CG1-CG 3.63Å
249	P	94.6	Very high	95.2	Very high	51 Å²	51	34.4 Å²	34.4	33%	0.331	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	142.6	171.1	-19.9	32.2	0	0	0	111.9	H196 G251 E252	H196-P249 WeakPolarHBondContact O-CA 3.42Å; P249-G251 PolarHBondContact O-N 3.07Å; P249-E252 HydrophobicContact CB-CB 4.25Å; P249-E252 HydrophobicContact CB-CG 4.08Å; P249-E252 HydrophobicContact CG-CB 4.47Å; P249-E252 HydrophobicContact CG-CG 4.41Å; P249-E252 WeakPolarHBondContact O-CB 3.17Å; P249-E252 PolarHBondContact O-N 2.91Å
250	S	90	Very high	95.3	Very high	59 Å²	59	33.7 Å²	33.7	41%	0.413	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	123.4	174.8	-64.6	0	0	0	0	111.5	D195 H196 E197	D195-S250 WeakPolarHBondContact O-CB 3.34Å; D195-S250 PolarHBondContact O-OG 2.88Å; H196-S250 WeakPolarHBondContact CA-OG 3.39Å; H196-S250 PolarHBondContact O-N 3.38Å; H196-S250 PolarHBondContact O-OG 3.44Å; E197-S250 PolarHBondContact N-OG 2.86Å
251	G	88.3	Confident	95.3	Very high	61 Å²	61	37.2 Å²	37.2	63%	0.629	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.6	-5.1	-177.8	0	0	0	0	0	115.2	P249 E253	P249-G251 PolarHBondContact O-N 3.07Å; G251-E253 WeakPolarHBondContact CA-OE2 3.47Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 2.97Å; G251-E253 PolarHBondContact N-OE2 2.93Å
252	E	92.8	Very high	95.3	Very high	63 Å²	63	36 Å²	36	29%	0.294	20%	0.195	S	C	.	.			trans	-95.8	1.9	174.6	-69.4	-157.3	-167.2	0	0	113.8	P249 Q254 R255 Y256	P249-E252 HydrophobicContact CB-CB 4.25Å; P249-E252 HydrophobicContact CB-CG 4.08Å; P249-E252 HydrophobicContact CG-CB 4.47Å; P249-E252 HydrophobicContact CG-CG 4.41Å; P249-E252 WeakPolarHBondContact O-CB 3.17Å; P249-E252 PolarHBondContact O-N 2.91Å; E252-Q254 PolarHBondContact O-N 2.98Å; E252-R255 VanDerWaalsContact CD-NH1 3.26Å; E252-R255 VanDerWaalsContact O-CB 3.32Å; E252-R255 WeakPolarHBondContact O-CB 3.3Å; E252-R255 PolarHBondContact O-N 3.25Å; E252-R255 IonicContact OE1-NH1 2.75Å; E252-R255 PolarHBondContact OE1-NH1 3Å; E252-R255 WeakPolarHBondContact OE2-CD 3.49Å; E252-R255 IonicContact OE2-CZ 3.8Å; E252-R255 IonicContact OE2-NE 3.15Å; E252-R255 IonicContact OE2-NH1 2.68Å; E252-R255 PolarHBondContact OE2-NH1 3.22Å; E252-Y256 HydrophobicContact CB-CE2 4.35Å; E252-Y256 WeakPolarHBondContact O-CD2 3.45Å
253	E	92.1	Very high	95.1	Very high	22 Å²	22	41.9 Å²	41.9	10%	0.103	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-57.3	-27.7	-170.3	-51.8	80.7	-175.2	0	0	113.3	L200 V248 G251 R255 Y256 W273	L200-E253 HydrophobicContact CD1-CB 4.08Å; V248-E253 HydrophobicContact CG2-CG 3.98Å; G251-E253 WeakPolarHBondContact CA-OE2 3.47Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 2.97Å; G251-E253 PolarHBondContact N-OE2 2.93Å; E253-R255 VanDerWaalsContact C-N 3.33Å; E253-Y256 PolarHBondContact O-N 2.73Å; E253-W273 HydrophobicContact CB-CB 4.07Å; E253-W273 HydrophobicContact CB-CG 4.16Å
254	Q	91.3	Very high	94.9	Very high	92 Å²	92	41.8 Å²	41.8	43%	0.43	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-71.1	-22.6	177.8	-61.6	-55.2	-45.1	0	0	114.2	E252 Y256 W273 L275	E252-Q254 PolarHBondContact O-N 2.98Å; Q254-Y256 VanDerWaalsContact C-N 3.28Å; Q254-W273 PolarHBondContact NE2-O 2.8Å; Q254-L275 VanDerWaalsContact NE2-CD1 3.3Å
255	R	94.4	Very high	94.9	Very high	101 Å²	101	43 Å²	43	38%	0.381	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-73.4	-24.5	176.5	-58.8	176.8	71.1	-179.8	5.6	111.6	R218 D219 E252 E253	R218-R255 WeakPolarHBondContact CA-O 3.39Å; R218-R255 HydrophobicContact CG-CB 4.09Å; D219-R255 PolarHBondContact N-O 3.47Å; D219-R255 WeakPolarHBondContact OD1-CB 3.43Å; D219-R255 IonicContact OD1-NE 3.32Å; D219-R255 IonicContact OD2-CZ 3.42Å; D219-R255 IonicContact OD2-NE 2.76Å; D219-R255 PolarHBondContact OD2-NE 2.83Å; D219-R255 IonicContact OD2-NH2 3.38Å; D219-R255 PolarHBondContact OD2-NH2 3.41Å; E252-R255 VanDerWaalsContact CD-NH1 3.26Å; E252-R255 VanDerWaalsContact O-CB 3.32Å; E252-R255 WeakPolarHBondContact O-CB 3.3Å; E252-R255 PolarHBondContact O-N 3.25Å; E252-R255 IonicContact OE1-NH1 2.75Å; E252-R255 PolarHBondContact OE1-NH1 3Å; E252-R255 WeakPolarHBondContact OE2-CD 3.49Å; E252-R255 IonicContact OE2-CZ 3.8Å; E252-R255 IonicContact OE2-NE 3.15Å; E252-R255 IonicContact OE2-NH1 2.68Å; E252-R255 PolarHBondContact OE2-NH1 3.22Å; E253-R255 VanDerWaalsContact C-N 3.33Å
256	Y	95.2	Very high	94.8	Very high	12 Å²	12	49.1 Å²	49.1	5%	0.047	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.9	-175.9	-69.5	-99.5	0	0	0	111.4	Q217 R218 Q223 V246 V248 E252 E253 Q254	Q217-Y256 CarbonylContact O-C 3.58Å; Q217-Y256 WeakPolarHBondContact O-CA 3.36Å; R218-Y256 HydrophobicContact CB-CD1 4.11Å; R218-Y256 HydrophobicContact CB-CE1 3.98Å; R218-Y256 HydrophobicContact CG-CD2 4.41Å; R218-Y256 HydrophobicContact CG-CE1 4.27Å; R218-Y256 HydrophobicContact CG-CE2 4.1Å; Q223-Y256 HydrophobicContact CG-CE1 4.31Å; V246-Y256 HydrophobicContact CG2-CD1 4.06Å; V246-Y256 HydrophobicContact CG2-CE1 4.49Å; V248-Y256 HydrophobicContact CB-CD2 3.97Å; V248-Y256 HydrophobicContact CB-CE2 3.73Å; V248-Y256 HydrophobicContact CB-CG 4.5Å; V248-Y256 HydrophobicContact CG1-CD1 3.69Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.69Å; V248-Y256 HydrophobicContact CG1-CE2 3.62Å; V248-Y256 HydrophobicContact CG1-CG 3.63Å; E252-Y256 HydrophobicContact CB-CE2 4.35Å; E252-Y256 WeakPolarHBondContact O-CD2 3.45Å; E253-Y256 PolarHBondContact O-N 2.73Å; Q254-Y256 VanDerWaalsContact C-N 3.28Å
257	T	96.5	Very high	94.7	Very high	6 Å²	6	56.9 Å²	56.9	4%	0.037	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	129.9	179.5	39.7	0	0	0	0	110.2	W216 Q217 H259 T270 L271 R272	W216-T257 WeakPolarHBondContact CA-O 3.03Å; W216-T257 VanDerWaalsContact CE3-C 3.41Å; W216-T257 VanDerWaalsContact CE3-O 3.3Å; Q217-T257 PolarHBondContact N-O 3.18Å; Q217-T257 PolarHBondContact O-N 3.25Å; Q217-T257 PolarHBondContact O-OG1 2.69Å; Q217-T257 VanDerWaalsContact O-OG1 3.1Å; T257-H259 WeakPolarHBondContact CB-NE2 3.43Å; T257-H259 PolarHBondContact OG1-NE2 3.01Å; T257-T270 HydrophobicContact CG2-CG2 3.76Å; T257-L271 WeakPolarHBondContact CA-O 3.37Å; T257-R272 HydrophobicContact CG2-CG 3.56Å; T257-R272 VanDerWaalsContact CG2-NE 3.31Å
258	C	97	Very high	94.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	127.4	169.3	174.3	0	0	0	0	109.1	C202 T215 W216 T270 L271	C202-C258 HydrophobicContact CB-CB 3.47Å; C202-C258 VanDerWaalsContact CB-CB 3.47Å; C202-C258 WeakPolarHBondContact CB-SG 3.47Å; C202-C258 WeakPolarHBondContact SG-CB 3.32Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 3.17Å; T215-C258 CarbonylContact O-C 3.55Å; T215-C258 WeakPolarHBondContact O-CA 3.49Å; W216-C258 HydrophobicContact CD2-CB 4.16Å; W216-C258 HydrophobicContact CE3-CB 4.13Å; W216-C258 HydrophobicContact CH2-CB 4.09Å; W216-C258 HydrophobicContact CZ2-CB 4.11Å; W216-C258 HydrophobicContact CZ3-CB 4.08Å; C258-T270 CarbonylContact O-C 3.6Å; C258-T270 WeakPolarHBondContact O-CA 3.34Å; C258-L271 HydrophobicContact CB-CB 4.36Å; C258-L271 PolarHBondContact N-O 2.96Å; C258-L271 PolarHBondContact O-N 3.39Å
259	H	96.9	Very high	94.8	Very high	48 Å²	48	60.1 Å²	60.1	22%	0.222	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.3	176.7	-61	-95.2	0	0	0	109.8	L214 T215 Q217 T257 L269 T270	L214-H259 WeakPolarHBondContact CA-O 3.43Å; T215-H259 PolarHBondContact N-O 2.85Å; T215-H259 PolarHBondContact O-N 3Å; Q217-H259 WeakPolarHBondContact CB-NE2 3.42Å; Q217-H259 WeakPolarHBondContact CG-NE2 3.32Å; Q217-H259 PolarHBondContact OE1-NE2 3.5Å; T257-H259 WeakPolarHBondContact CB-NE2 3.43Å; T257-H259 PolarHBondContact OG1-NE2 3.01Å; H259-L269 CarbonylContact C-O 3.5Å; H259-L269 WeakPolarHBondContact CA-O 3.25Å; H259-T270 WeakPolarHBondContact CE1-CG2 2.93Å; H259-T270 PolarHBondContact CE1-OG1 3.16Å; H259-T270 VanDerWaalsContact CE1-OG1 3.27Å; H259-T270 PolarHBondContact ND1-OG1 3.07Å
260	V	97.8	Very high	94.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.2	-176.6	-177.2	0	0	0	0	109.1	P184 T186 I212 T213 L214 L265 P268 L269 L271	P184-V260 HydrophobicContact CG-CG1 3.96Å; T186-V260 HydrophobicContact CG2-CB 4.33Å; T186-V260 HydrophobicContact CG2-CG1 4.1Å; T186-V260 HydrophobicContact CG2-CG2 3.99Å; I212-V260 HydrophobicContact CD1-CG1 4.05Å; I212-V260 HydrophobicContact CG1-CG1 4.38Å; T213-V260 WeakPolarHBondContact O-CA 3.48Å; L214-V260 HydrophobicContact CD1-CG1 3.96Å; L214-V260 HydrophobicContact CD1-CG2 4.28Å; L214-V260 HydrophobicContact CG-CG2 4.22Å; V260-L265 HydrophobicContact CG1-CD1 4.08Å; V260-P268 WeakPolarHBondContact O-CA 3.45Å; V260-L269 HydrophobicContact CB-CB 4.4Å; V260-L269 PolarHBondContact N-O 2.86Å; V260-L269 PolarHBondContact O-N 2.71Å; V260-L271 HydrophobicContact CG2-CD1 3.85Å
261	Q	98	Very high	95.1	Very high	100 Å²	100	59.9 Å²	59.9	47%	0.467	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127.3	175.4	-41.6	-173.2	28.2	0	0	109.4	I212 T213 P268	I212-Q261 WeakPolarHBondContact CG1-O 3.41Å; T213-Q261 PolarHBondContact N-O 3.06Å; T213-Q261 PolarHBondContact O-N 3.44Å; Q261-P268 HydrophobicContact CG-CB 4.16Å; Q261-P268 HydrophobicContact CG-CG 4.18Å
262	H	97.4	Very high	95.3	Very high	16 Å²	16	64.3 Å²	64.3	7%	0.074	32%	0.319	C	S	.	.			trans	-154.3	148.3	-177.6	-174.9	-104.6	0	0	0	108.9	D182 P184 F207 Y208 P209 E211 I212 G264 L265	D182-H262 PolarHBondContact O-CE1 2.94Å; D182-H262 VanDerWaalsContact O-CE1 3.24Å; P184-H262 HydrophobicContact CG-CB 4.11Å; F207-H262 AromaticContact CD2-CD2 3.95Å; F207-H262 AromaticContact CD2-NE2 3.72Å; Y208-H262 PolarHBondContact O-CE1 3.01Å; Y208-H262 VanDerWaalsContact O-CE1 3.25Å; P209-H262 PolarHBondContact O-NE2 3.38Å; E211-H262 PolarHBondContact O-CD2 3.05Å; E211-H262 VanDerWaalsContact O-CD2 3.25Å; I212-H262 HydrophobicContact CD1-CB 4.22Å; I212-H262 HydrophobicContact CG1-CB 4.03Å; H262-G264 PolarHBondContact ND1-N 3.15Å; H262-G264 PolarHBondContact O-N 2.93Å; H262-L265 HydrophobicContact CB-CD1 3.96Å; H262-L265 HydrophobicContact CB-CG 4.09Å; H262-L265 WeakPolarHBondContact O-CB 3.34Å; H262-L265 PolarHBondContact O-N 3.21Å
263	E	94.6	Very high	95.1	Very high	146 Å²	146	63.6 Å²	63.6	68%	0.682	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-29.4	-178.2	-170.4	171.7	-173.6	0	0	112.9	T181 L265	T181-E263 HydrophobicContact CG2-CB 3.89Å; T181-E263 HydrophobicContact CG2-CG 4.06Å; E263-L265 PolarHBondContact O-N 3.45Å
264	G	94.3	Very high	94.5	Very high	20 Å²	20	70.3 Å²	70.3	21%	0.206	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-7.7	176.6	0	0	0	0	0	114.3	T181 H262	T181-G264 VanDerWaalsContact CG2-CA 3.49Å; T181-G264 VanDerWaalsContact CG2-N 3.27Å; H262-G264 PolarHBondContact ND1-N 3.15Å; H262-G264 PolarHBondContact O-N 2.93Å
265	L	96.5	Very high	93.1	Very high	25 Å²	25	71.6 Å²	71.6	13%	0.131	35%	0.354	C	S	.	.			trans	-98.5	120.2	178.7	-63.4	174	0	0	0	110.3	P183 P184 V260 H262 E263 K267 L269	P183-L265 HydrophobicContact CB-CD2 3.97Å; P184-L265 HydrophobicContact CG-CD1 3.82Å; P184-L265 HydrophobicContact CG-CD2 4.27Å; P184-L265 HydrophobicContact CG-CG 4.12Å; V260-L265 HydrophobicContact CG1-CD1 4.08Å; H262-L265 HydrophobicContact CB-CD1 3.96Å; H262-L265 HydrophobicContact CB-CG 4.09Å; H262-L265 WeakPolarHBondContact O-CB 3.34Å; H262-L265 PolarHBondContact O-N 3.21Å; E263-L265 PolarHBondContact O-N 3.45Å; L265-K267 WeakPolarHBondContact CB-O 3.42Å; L265-K267 PolarHBondContact O-N 2.73Å; L265-K267 VanDerWaalsContact O-N 3.09Å; L265-L269 HydrophobicContact CD1-CB 4.48Å; L265-L269 HydrophobicContact CD1-CD1 3.96Å; L265-L269 HydrophobicContact CD1-CG 3.94Å; L265-L269 HydrophobicContact CD2-CD1 3.63Å; L265-L269 HydrophobicContact CD2-CG 3.97Å; L265-L269 HydrophobicContact CG-CD1 4.46Å
266	P	95.2	Very high	91	Very high	132 Å²	132	71.4 Å²	71.4	86%	0.857	37%	0.368	S	S	*	.	S	Bend	trans	-67.3	-14.6	-179.6	28.4	-35.9	0	0	0	113.4
267	K	95.7	Very high	88.4	Confident	166 Å²	166	75.5 Å²	75.5	72%	0.722	40%	0.399	S	S	*	.	S	Bend	trans	-151	150.8	168.5	-62.5	-173.1	-179	179.8	0	108.3	L265 L269	L265-K267 WeakPolarHBondContact CB-O 3.42Å; L265-K267 PolarHBondContact O-N 2.73Å; L265-K267 VanDerWaalsContact O-N 3.09Å; K267-L269 PolarHBondContact O-N 3.34Å
268	P	96.1	Very high	85.8	Confident	78 Å²	78	83.1 Å²	83.1	51%	0.506	43%	0.434	S	S	.	.			trans	-49.4	138.9	169.3	-29.2	36.9	0	0	0	112.5	V260 Q261	V260-P268 WeakPolarHBondContact O-CA 3.45Å; Q261-P268 HydrophobicContact CG-CB 4.16Å; Q261-P268 HydrophobicContact CG-CG 4.18Å
269	L	96.3	Very high	83	Confident	64 Å²	64	88.6 Å²	88.6	34%	0.335	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	138.3	171.6	-67.6	174.8	0	0	0	109.6	T186 H259 V260 L265 K267 L271	T186-L269 HydrophobicContact CG2-CD1 4.21Å; H259-L269 CarbonylContact C-O 3.5Å; H259-L269 WeakPolarHBondContact CA-O 3.25Å; V260-L269 HydrophobicContact CB-CB 4.4Å; V260-L269 PolarHBondContact N-O 2.86Å; V260-L269 PolarHBondContact O-N 2.71Å; L265-L269 HydrophobicContact CD1-CB 4.48Å; L265-L269 HydrophobicContact CD1-CD1 3.96Å; L265-L269 HydrophobicContact CD1-CG 3.94Å; L265-L269 HydrophobicContact CD2-CD1 3.63Å; L265-L269 HydrophobicContact CD2-CG 3.97Å; L265-L269 HydrophobicContact CG-CD1 4.46Å; K267-L269 PolarHBondContact O-N 3.34Å; L269-L271 HydrophobicContact CB-CD1 4.43Å
270	T	96.2	Very high	80.7	Confident	76 Å²	76	92.7 Å²	92.7	47%	0.466	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	113.7	170.1	-54.8	0	0	0	0	108.6	T257 C258 H259	T257-T270 HydrophobicContact CG2-CG2 3.76Å; C258-T270 CarbonylContact O-C 3.6Å; C258-T270 WeakPolarHBondContact O-CA 3.34Å; H259-T270 WeakPolarHBondContact CE1-CG2 2.93Å; H259-T270 PolarHBondContact CE1-OG1 3.16Å; H259-T270 VanDerWaalsContact CE1-OG1 3.27Å; H259-T270 PolarHBondContact ND1-OG1 3.07Å
271	L	94.4	Very high	78.7	Confident	30 Å²	30	98.1 Å²	98.1	16%	0.157	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	146.8	175.1	-62.3	100.4	0	0	0	110.7	T186 M188 T257 C258 V260 L269	T186-L271 HydrophobicContact CG2-CD1 4.18Å; M188-L271 HydrophobicContact CG-CB 4.31Å; M188-L271 HydrophobicContact CG-CD2 4.49Å; M188-L271 HydrophobicContact SD-CB 3.76Å; T257-L271 WeakPolarHBondContact CA-O 3.37Å; C258-L271 HydrophobicContact CB-CB 4.36Å; C258-L271 PolarHBondContact N-O 2.96Å; C258-L271 PolarHBondContact O-N 3.39Å; V260-L271 HydrophobicContact CG2-CD1 3.85Å; L269-L271 HydrophobicContact CB-CD1 4.43Å
272	R	92.3	Very high	76.6	Confident	154 Å²	154	97.7 Å²	97.7	58%	0.581	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	159.5	167.3	-74.4	-176.1	174.2	164.1	-1.6	109.2	T257 E274	T257-R272 HydrophobicContact CG2-CG 3.56Å; T257-R272 VanDerWaalsContact CG2-NE 3.31Å; R272-E274 PolarHBondContact O-N 3.45Å
273	W	89	Confident	74.8	Confident	47 Å²	47	102.5 Å²	102.5	18%	0.178	56%	0.557	C	S	.	*			trans	-69.4	100.4	168.6	179.8	-123.7	0	0	0	109.3	M188 H190 L200 E253 Q254 L275	M188-W273 HydrophobicContact CB-CE3 4.11Å; M188-W273 HydrophobicContact CB-CZ3 4.48Å; M188-W273 HydrophobicContact CE-CB 3.62Å; M188-W273 HydrophobicContact CE-CE3 4.3Å; M188-W273 VanDerWaalsContact CE-N 3.32Å; H190-W273 HydrophobicContact CB-CD2 4.06Å; H190-W273 HydrophobicContact CB-CE3 4.11Å; H190-W273 HydrophobicContact CB-CH2 3.47Å; H190-W273 VanDerWaalsContact CB-CH2 3.47Å; H190-W273 HydrophobicContact CB-CZ2 3.36Å; H190-W273 HydrophobicContact CB-CZ3 3.83Å; H190-W273 AromaticContact CG-CE2 4Å; H190-W273 AromaticContact CG-CZ2 3.89Å; L200-W273 HydrophobicContact CD1-CB 4.25Å; L200-W273 HydrophobicContact CD2-CB 3.89Å; L200-W273 HydrophobicContact CD2-CD2 3.99Å; L200-W273 HydrophobicContact CD2-CE3 4.32Å; L200-W273 HydrophobicContact CD2-CG 3.79Å; E253-W273 HydrophobicContact CB-CB 4.07Å; E253-W273 HydrophobicContact CB-CG 4.16Å; Q254-W273 PolarHBondContact NE2-O 2.8Å; W273-L275 PolarHBondContact O-N 3.12Å
274	E	78.8	Confident	72.9	Confident	163 Å²	163	101.3 Å²	101.3	76%	0.762	56%	0.559	S	S	*	*			trans	-70.1	119.7	162.3	-67.4	-171.7	166.3	0	0	107.7	R272 S276	R272-E274 PolarHBondContact O-N 3.45Å; E274-S276 PolarHBondContact O-N 3.46Å
275	L	62.6	Low	71.3	Confident	119 Å²	119	102.4 Å²	102.4	62%	0.623	57%	0.571	S	S	*	*			trans	-63.3	94.5	160.7	-88	81	0	0	0	106.4	Q254 W273 S277	Q254-L275 VanDerWaalsContact NE2-CD1 3.3Å; W273-L275 PolarHBondContact O-N 3.12Å; L275-S277 PolarHBondContact O-N 2.9Å
276	S	50.2	Low	69.9	Low	97 Å²	97	105.5 Å²	105.5	68%	0.678	59%	0.587	S	S	*	*			trans	-56.1	103.9	172.9	-179	0	0	0	0	107.7	E274 Q278	E274-S276 PolarHBondContact O-N 3.46Å; S276-Q278 VanDerWaalsContact C-N 3.29Å; S276-Q278 PolarHBondContact O-N 2.89Å
277	S	41.6	Very low	68.7	Low	99 Å²	99	103.8 Å²	103.8	69%	0.692	57%	0.569	S	S	*	*			trans	-62.7	100.8	168.8	57.9	0	0	0	0	105.9	L275 P279	L275-S277 PolarHBondContact O-N 2.9Å; S277-P279 WeakPolarHBondContact O-CD 3.24Å
278	Q	41.1	Very low	67.4	Low	166 Å²	166	98.1 Å²	98.1	78%	0.776	55%	0.553	S	S	*	*			trans	-44.1	123	156.6	-71.7	-173.6	-6.4	0	0	105.5	S276 T280	S276-Q278 VanDerWaalsContact C-N 3.29Å; S276-Q278 PolarHBondContact O-N 2.89Å; Q278-T280 VanDerWaalsContact C-N 3.34Å; Q278-T280 PolarHBondContact O-N 3.46Å
279	P	38.9	Very low	66.4	Low	115 Å²	115	95.9 Å²	95.9	75%	0.747	54%	0.544	S	S	*	.			trans	-61.4	105.6	-179.2	23.5	-32	0	0	0	106.3	S277 I281	S277-P279 WeakPolarHBondContact O-CD 3.24Å; P279-I281 PolarHBondContact O-N 3.37Å
280	T	48.6	Very low	65.6	Low	134 Å²	134	98.1 Å²	98.1	82%	0.822	56%	0.556	S	S	*	*			trans	-69.1	80.8	173.3	12.6	0	0	0	0	106.1	Q278 P282	Q278-T280 VanDerWaalsContact C-N 3.34Å; Q278-T280 PolarHBondContact O-N 3.46Å; T280-P282 WeakPolarHBondContact O-CD 3.43Å
281	I	54.7	Low	64.7	Low	113 Å²	113	99.2 Å²	99.2	58%	0.579	56%	0.562	S	S	*	*			trans	-42.1	119.7	168.3	-62.9	174.4	0	0	0	104.8	P279 I283 I286	P279-I281 PolarHBondContact O-N 3.37Å; I281-I283 PolarHBondContact O-N 2.81Å; I281-I286 HydrophobicContact CG2-CD1 3.63Å
282	P	53.9	Low	63.8	Low	92 Å²	92	103.4 Å²	103.4	60%	0.597	58%	0.584	S	S	*	*			trans	-72.3	85.2	-169.8	26.2	-33.8	0	0	0	109	T280 V284 G285 I286	T280-P282 WeakPolarHBondContact O-CD 3.43Å; P282-V284 PolarHBondContact O-N 3.34Å; P282-V284 VanDerWaalsContact O-N 3.15Å; P282-G285 WeakPolarHBondContact O-CA 3.25Å; P282-G285 PolarHBondContact O-N 3.09Å; P282-I286 PolarHBondContact O-N 3.23Å; P282-I286 VanDerWaalsContact O-N 3.12Å
283	I	59.7	Low	63	Low	116 Å²	116	101.1 Å²	101.1	60%	0.595	58%	0.583	S	S	*	*	H	α-helix	trans	-54	-36	179.3	-71.4	163	0	0	0	109.4	I281 G285 I286 I287	I281-I283 PolarHBondContact O-N 2.81Å; I283-G285 VanDerWaalsContact C-N 3.34Å; I283-G285 PolarHBondContact O-N 3.08Å; I283-I286 PolarHBondContact O-N 3.27Å; I283-I287 HydrophobicContact CG2-CD1 3.61Å; I283-I287 HydrophobicContact CG2-CG1 4.21Å; I283-I287 WeakPolarHBondContact O-CB 3.38Å; I283-I287 VanDerWaalsContact O-CG1 3.26Å; I283-I287 WeakPolarHBondContact O-CG1 3.5Å; I283-I287 PolarHBondContact O-N 3.41Å
284	V	55.5	Low	62.3	Low	121 Å²	121	100.5 Å²	100.5	73%	0.733	59%	0.591	S	S	*	*	H	α-helix	trans	-56	-43.8	171.4	-175.9	0	0	0	0	112.5	P282 A288	P282-V284 PolarHBondContact O-N 3.34Å; P282-V284 VanDerWaalsContact O-N 3.15Å; V284-A288 VanDerWaalsContact O-CB 3.27Å; V284-A288 WeakPolarHBondContact O-CB 3.46Å; V284-A288 PolarHBondContact O-N 3.3Å
285	G	60.2	Low	62.2	Low	43 Å²	43	95.4 Å²	95.4	44%	0.443	58%	0.577	S	S	.	*	H	α-helix	trans	-69.8	-38.3	177.9	0	0	0	0	0	113	P282 I283 G289	P282-G285 WeakPolarHBondContact O-CA 3.25Å; P282-G285 PolarHBondContact O-N 3.09Å; I283-G285 VanDerWaalsContact C-N 3.34Å; I283-G285 PolarHBondContact O-N 3.08Å; G285-G289 PolarHBondContact O-N 3.15Å
286	I	67.9	Low	62.9	Low	91 Å²	91	94.6 Å²	94.6	47%	0.467	58%	0.577	S	S	.	*	H	α-helix	trans	-66.6	-45.2	174.8	-61.6	177.5	0	0	0	110.4	I281 P282 I283 G289 L290	I281-I286 HydrophobicContact CG2-CD1 3.63Å; P282-I286 PolarHBondContact O-N 3.23Å; P282-I286 VanDerWaalsContact O-N 3.12Å; I283-I286 PolarHBondContact O-N 3.27Å; I286-G289 PolarHBondContact O-N 3.2Å; I286-L290 HydrophobicContact CG2-CD1 3.95Å; I286-L290 HydrophobicContact CG2-CG 4.46Å; I286-L290 WeakPolarHBondContact O-CB 3.48Å; I286-L290 VanDerWaalsContact O-CG 3.32Å; I286-L290 WeakPolarHBondContact O-CG 3.37Å; I286-L290 PolarHBondContact O-N 3.46Å
287	I	69	Low	64.1	Low	96 Å²	96	95 Å²	95	49%	0.492	57%	0.57	S	S	.	*	H	α-helix	trans	-61.7	-46.6	175.7	-70.1	170.7	0	0	0	110.6	I283 G289 L290 V291	I283-I287 HydrophobicContact CG2-CD1 3.61Å; I283-I287 HydrophobicContact CG2-CG1 4.21Å; I283-I287 WeakPolarHBondContact O-CB 3.38Å; I283-I287 VanDerWaalsContact O-CG1 3.26Å; I283-I287 WeakPolarHBondContact O-CG1 3.5Å; I283-I287 PolarHBondContact O-N 3.41Å; I287-G289 VanDerWaalsContact C-N 3.35Å; I287-G289 PolarHBondContact O-N 3.47Å; I287-L290 PolarHBondContact O-N 2.86Å; I287-V291 HydrophobicContact CG2-CG2 4.28Å; I287-V291 WeakPolarHBondContact O-CB 3.26Å; I287-V291 VanDerWaalsContact O-CG2 3.3Å; I287-V291 WeakPolarHBondContact O-CG2 3.39Å; I287-V291 PolarHBondContact O-N 3.47Å
288	A	69.2	Low	65.6	Low	47 Å²	47	94.5 Å²	94.5	39%	0.388	56%	0.563	S	S	.	*	H	α-helix	trans	-59.7	-44	177.1	0	0	0	0	0	112	V284 V291 L292	V284-A288 VanDerWaalsContact O-CB 3.27Å; V284-A288 WeakPolarHBondContact O-CB 3.46Å; V284-A288 PolarHBondContact O-N 3.3Å; A288-V291 PolarHBondContact O-N 3.01Å; A288-L292 WeakPolarHBondContact O-CB 3.22Å; A288-L292 VanDerWaalsContact O-CG 3.28Å; A288-L292 WeakPolarHBondContact O-CG 3.44Å; A288-L292 PolarHBondContact O-N 2.93Å
289	G	73.4	Confident	67.1	Low	30 Å²	30	88.5 Å²	88.5	31%	0.309	55%	0.546	S	S	.	.	H	α-helix	trans	-61.3	-44.4	175.1	0	0	0	0	0	113.2	G285 I286 I287 L292 L293	G285-G289 PolarHBondContact O-N 3.15Å; I286-G289 PolarHBondContact O-N 3.2Å; I287-G289 VanDerWaalsContact C-N 3.35Å; I287-G289 PolarHBondContact O-N 3.47Å; G289-L292 PolarHBondContact O-N 3.28Å; G289-L293 WeakPolarHBondContact O-CB 3.44Å; G289-L293 WeakPolarHBondContact O-CG 3.41Å; G289-L293 PolarHBondContact O-N 3.48Å
290	L	79.8	Confident	68.8	Low	112 Å²	112	85.8 Å²	85.8	59%	0.586	53%	0.533	S	S	*	.	H	α-helix	trans	-66.4	-39.7	177.5	-72.4	171.3	0	0	0	112.7	I286 I287 L293 G294	I286-L290 HydrophobicContact CG2-CD1 3.95Å; I286-L290 HydrophobicContact CG2-CG 4.46Å; I286-L290 WeakPolarHBondContact O-CB 3.48Å; I286-L290 VanDerWaalsContact O-CG 3.32Å; I286-L290 WeakPolarHBondContact O-CG 3.37Å; I286-L290 PolarHBondContact O-N 3.46Å; I287-L290 PolarHBondContact O-N 2.86Å; L290-L293 PolarHBondContact O-N 3.46Å; L290-G294 PolarHBondContact O-N 3.13Å
291	V	77.6	Confident	70.1	Confident	99 Å²	99	83.4 Å²	83.4	60%	0.6	52%	0.518	S	S	*	.	H	α-helix	trans	-65.3	-43.2	175.6	169.8	0	0	0	0	110.9	I287 A288 G294 A295	I287-V291 HydrophobicContact CG2-CG2 4.28Å; I287-V291 WeakPolarHBondContact O-CB 3.26Å; I287-V291 VanDerWaalsContact O-CG2 3.3Å; I287-V291 WeakPolarHBondContact O-CG2 3.39Å; I287-V291 PolarHBondContact O-N 3.47Å; A288-V291 PolarHBondContact O-N 3.01Å; V291-G294 PolarHBondContact O-N 2.98Å; V291-A295 WeakPolarHBondContact O-CB 3.29Å; V291-A295 PolarHBondContact O-N 2.79Å
292	L	75	Confident	71	Confident	117 Å²	117	82 Å²	82	61%	0.613	52%	0.515	S	S	*	.	H	α-helix	trans	-64.3	-45	175.9	-72.9	168.8	0	0	0	112	A288 G289 A295 V296	A288-L292 WeakPolarHBondContact O-CB 3.22Å; A288-L292 VanDerWaalsContact O-CG 3.28Å; A288-L292 WeakPolarHBondContact O-CG 3.44Å; A288-L292 PolarHBondContact O-N 2.93Å; G289-L292 PolarHBondContact O-N 3.28Å; L292-A295 PolarHBondContact O-N 2.8Å; L292-V296 WeakPolarHBondContact O-CG2 3.34Å; L292-V296 PolarHBondContact O-N 2.88Å
293	L	75.4	Confident	71.8	Confident	106 Å²	106	80.3 Å²	80.3	56%	0.555	51%	0.508	S	S	*	.	H	α-helix	trans	-60.7	-44.8	174.8	-77.2	165.5	0	0	0	111.7	G289 L290 A295 V296 I297	G289-L293 WeakPolarHBondContact O-CB 3.44Å; G289-L293 WeakPolarHBondContact O-CG 3.41Å; G289-L293 PolarHBondContact O-N 3.48Å; L290-L293 PolarHBondContact O-N 3.46Å; L293-A295 PolarHBondContact O-N 2.8Å; L293-V296 PolarHBondContact O-N 2.67Å; L293-I297 WeakPolarHBondContact O-CB 3.35Å; L293-I297 VanDerWaalsContact O-CG1 3.25Å; L293-I297 WeakPolarHBondContact O-CG1 3.25Å; L293-I297 PolarHBondContact O-N 3.2Å
294	G	76	Confident	72.3	Confident	34 Å²	34	77.3 Å²	77.3	35%	0.351	50%	0.501	S	S	.	.	H	α-helix	trans	-60.9	-42.6	175.9	0	0	0	0	0	113.1	L290 V291 I297 T298	L290-G294 PolarHBondContact O-N 3.13Å; V291-G294 PolarHBondContact O-N 2.98Å; G294-I297 PolarHBondContact O-N 3.23Å; G294-T298 PolarHBondContact O-N 3.16Å; G294-T298 PolarHBondContact O-OG1 2.84Å
295	A	75.7	Confident	73.1	Confident	57 Å²	57	75.4 Å²	75.4	47%	0.471	49%	0.49	S	S	.	.	H	α-helix	trans	-64.7	-43.3	175.8	0	0	0	0	0	112.3	V291 L292 L293 T298 G299	V291-A295 WeakPolarHBondContact O-CB 3.29Å; V291-A295 PolarHBondContact O-N 2.79Å; L292-A295 PolarHBondContact O-N 2.8Å; L293-A295 PolarHBondContact O-N 2.8Å; A295-T298 WeakPolarHBondContact CA-OG1 3.11Å; A295-T298 PolarHBondContact O-N 3.03Å; A295-T298 PolarHBondContact O-OG1 3.35Å; A295-T298 VanDerWaalsContact O-OG1 3.04Å; A295-G299 PolarHBondContact O-N 2.84Å
296	V	78.1	Confident	73.6	Confident	101 Å²	101	79.4 Å²	79.4	61%	0.612	50%	0.498	S	S	*	.	H	α-helix	trans	-64	-42.8	176.4	169.7	0	0	0	0	111.3	L292 L293 G299 A300	L292-V296 WeakPolarHBondContact O-CG2 3.34Å; L292-V296 PolarHBondContact O-N 2.88Å; L293-V296 PolarHBondContact O-N 2.67Å; V296-G299 PolarHBondContact O-N 2.72Å; V296-A300 WeakPolarHBondContact O-CB 3.41Å; V296-A300 PolarHBondContact O-N 2.87Å
297	I	75.6	Confident	73.6	Confident	105 Å²	105	84.8 Å²	84.8	54%	0.538	51%	0.513	S	S	.	.	H	α-helix	trans	-64.6	-45.7	178	-69.6	165.7	0	0	0	110.9	L293 G294 G299 A300 V301	L293-I297 WeakPolarHBondContact O-CB 3.35Å; L293-I297 VanDerWaalsContact O-CG1 3.25Å; L293-I297 WeakPolarHBondContact O-CG1 3.25Å; L293-I297 PolarHBondContact O-N 3.2Å; G294-I297 PolarHBondContact O-N 3.23Å; I297-G299 PolarHBondContact O-N 3.43Å; I297-A300 PolarHBondContact O-N 2.98Å; I297-V301 HydrophobicContact CG2-CG2 4.47Å; I297-V301 WeakPolarHBondContact O-CB 3.15Å; I297-V301 VanDerWaalsContact O-CG2 3.31Å; I297-V301 WeakPolarHBondContact O-CG2 3.49Å; I297-V301 PolarHBondContact O-N 3.11Å
298	T	72.1	Confident	73.3	Confident	89 Å²	89	89.8 Å²	89.8	55%	0.546	53%	0.525	S	S	.	.	H	α-helix	trans	-64.3	-40.7	176.6	47.7	0	0	0	0	112.1	G294 A295 V301 V302	G294-T298 PolarHBondContact O-N 3.16Å; G294-T298 PolarHBondContact O-OG1 2.84Å; A295-T298 WeakPolarHBondContact CA-OG1 3.11Å; A295-T298 PolarHBondContact O-N 3.03Å; A295-T298 PolarHBondContact O-OG1 3.35Å; A295-T298 VanDerWaalsContact O-OG1 3.04Å; T298-V301 PolarHBondContact O-N 3.19Å; T298-V302 WeakPolarHBondContact O-CB 3.41Å; T298-V302 VanDerWaalsContact O-CG2 3.32Å; T298-V302 WeakPolarHBondContact O-CG2 3.46Å; T298-V302 PolarHBondContact O-N 2.75Å
299	G	72.8	Confident	72.7	Confident	41 Å²	41	97 Å²	97	42%	0.423	54%	0.542	S	S	.	.	H	α-helix	trans	-59.6	-45.9	173.2	0	0	0	0	0	113.2	A295 V296 I297 V302 A303	A295-G299 PolarHBondContact O-N 2.84Å; V296-G299 PolarHBondContact O-N 2.72Å; I297-G299 PolarHBondContact O-N 3.43Å; G299-V302 PolarHBondContact O-N 2.83Å; G299-A303 WeakPolarHBondContact O-CB 3.33Å; G299-A303 PolarHBondContact O-N 3.49Å
300	A	74.3	Confident	71.8	Confident	57 Å²	57	104.1 Å²	104.1	47%	0.471	57%	0.565	S	S	.	*	H	α-helix	trans	-64.4	-41.3	177.1	0	0	0	0	0	112.5	V296 I297 A303 A304	V296-A300 WeakPolarHBondContact O-CB 3.41Å; V296-A300 PolarHBondContact O-N 2.87Å; I297-A300 PolarHBondContact O-N 2.98Å; A300-A303 PolarHBondContact O-N 3.19Å; A300-A304 VanDerWaalsContact O-CB 3.31Å; A300-A304 WeakPolarHBondContact O-CB 3.35Å; A300-A304 PolarHBondContact O-N 3.14Å
301	V	75.8	Confident	70.4	Confident	84 Å²	84	102.3 Å²	102.3	51%	0.509	56%	0.562	S	S	.	*	H	α-helix	trans	-65	-45.1	176	169.9	0	0	0	0	111.2	I297 T298 A303 A304 V305	I297-V301 HydrophobicContact CG2-CG2 4.47Å; I297-V301 WeakPolarHBondContact O-CB 3.15Å; I297-V301 VanDerWaalsContact O-CG2 3.31Å; I297-V301 WeakPolarHBondContact O-CG2 3.49Å; I297-V301 PolarHBondContact O-N 3.11Å; T298-V301 PolarHBondContact O-N 3.19Å; V301-A303 PolarHBondContact O-N 3.27Å; V301-A304 PolarHBondContact O-N 3.14Å; V301-V305 HydrophobicContact CG1-CG2 4.41Å; V301-V305 WeakPolarHBondContact O-CB 3.45Å; V301-V305 VanDerWaalsContact O-CG2 3.3Å; V301-V305 WeakPolarHBondContact O-CG2 3.32Å; V301-V305 PolarHBondContact O-N 3.41Å
302	V	73.9	Confident	69.1	Low	85 Å²	85	102 Å²	102	52%	0.515	56%	0.564	S	S	.	*	H	α-helix	trans	-61.3	-45.6	176.3	170.2	0	0	0	0	110.9	T298 G299 A304 V305 M306	T298-V302 WeakPolarHBondContact O-CB 3.41Å; T298-V302 VanDerWaalsContact O-CG2 3.32Å; T298-V302 WeakPolarHBondContact O-CG2 3.46Å; T298-V302 PolarHBondContact O-N 2.75Å; G299-V302 PolarHBondContact O-N 2.83Å; V302-A304 PolarHBondContact O-N 3.08Å; V302-V305 PolarHBondContact O-N 2.86Å; V302-M306 HydrophobicContact CG1-CG 4.49Å; V302-M306 HydrophobicContact CG1-SD 4.06Å; V302-M306 WeakPolarHBondContact O-CB 3.41Å; V302-M306 WeakPolarHBondContact O-CG 3.18Å; V302-M306 PolarHBondContact O-N 2.89Å
303	A	70.3	Confident	67.8	Low	55 Å²	55	103.7 Å²	103.7	46%	0.455	57%	0.574	S	S	.	*	H	α-helix	trans	-60.4	-44.1	176.1	0	0	0	0	0	112.3	G299 A300 V301 M306 W307	G299-A303 WeakPolarHBondContact O-CB 3.33Å; G299-A303 PolarHBondContact O-N 3.49Å; A300-A303 PolarHBondContact O-N 3.19Å; V301-A303 PolarHBondContact O-N 3.27Å; A303-M306 PolarHBondContact O-N 3.41Å; A303-W307 WeakPolarHBondContact O-CB 3.16Å; A303-W307 PolarHBondContact O-N 3.39Å
304	A	71.6	Confident	66.4	Low	54 Å²	54	109.2 Å²	109.2	45%	0.446	59%	0.587	S	S	.	*	H	α-helix	trans	-66.2	-37.7	177.7	0	0	0	0	0	112.9	A300 V301 V302 W307 R308	A300-A304 VanDerWaalsContact O-CB 3.31Å; A300-A304 WeakPolarHBondContact O-CB 3.35Å; A300-A304 PolarHBondContact O-N 3.14Å; V301-A304 PolarHBondContact O-N 3.14Å; V302-A304 PolarHBondContact O-N 3.08Å; A304-W307 PolarHBondContact O-N 2.94Å; A304-R308 WeakPolarHBondContact O-CB 3.4Å; A304-R308 PolarHBondContact O-N 2.71Å
305	V	71.1	Confident	64.6	Low	81 Å²	81	117.7 Å²	117.7	49%	0.491	61%	0.614	S	S	.	*	H	α-helix	trans	-68.1	-41.5	174.9	169.1	0	0	0	0	111.2	V301 V302 R308 R309	V301-V305 HydrophobicContact CG1-CG2 4.41Å; V301-V305 WeakPolarHBondContact O-CB 3.45Å; V301-V305 VanDerWaalsContact O-CG2 3.3Å; V301-V305 WeakPolarHBondContact O-CG2 3.32Å; V301-V305 PolarHBondContact O-N 3.41Å; V302-V305 PolarHBondContact O-N 2.86Å; V305-R308 PolarHBondContact O-N 3.24Å; V305-R309 PolarHBondContact O-N 3.47Å
306	M	70.9	Confident	62.6	Low	127 Å²	127	118.7 Å²	118.7	63%	0.626	63%	0.63	S	S	*	*	H	α-helix	trans	-63.6	-41.3	173.5	-72.9	-179.2	68.9	0	0	111.9	V302 A303 R309 K310	V302-M306 HydrophobicContact CG1-CG 4.49Å; V302-M306 HydrophobicContact CG1-SD 4.06Å; V302-M306 WeakPolarHBondContact O-CB 3.41Å; V302-M306 WeakPolarHBondContact O-CG 3.18Å; V302-M306 PolarHBondContact O-N 2.89Å; A303-M306 PolarHBondContact O-N 3.41Å; M306-R309 PolarHBondContact O-N 2.96Å; M306-K310 WeakPolarHBondContact O-CB 2.88Å; M306-K310 PolarHBondContact O-N 3.13Å
307	W	67.8	Low	60.5	Low	204 Å²	204	117.8 Å²	117.8	77%	0.773	64%	0.642	S	S	*	*	H	α-helix	trans	-63	-45.8	174.9	-158.9	-47.7	0	0	0	111.1	A303 A304 R309 K310 S311	A303-W307 WeakPolarHBondContact O-CB 3.16Å; A303-W307 PolarHBondContact O-N 3.39Å; A304-W307 PolarHBondContact O-N 2.94Å; W307-R309 PolarHBondContact O-N 2.68Å; W307-K310 CarbonylContact O-C 3.54Å; W307-K310 PolarHBondContact O-N 2.95Å; W307-S311 WeakPolarHBondContact O-CB 3.27Å; W307-S311 PolarHBondContact O-N 3.01Å; W307-S311 PolarHBondContact O-OG 3.09Å
308	R	62.9	Low	58.4	Low	200 Å²	200	118.5 Å²	118.5	76%	0.755	66%	0.656	S	S	*	*	H	α-helix	trans	-57.6	-50	175.3	-82.9	-173.1	172.8	-175.8	-0.9	111.7	A304 V305 K310 S311 S312	A304-R308 WeakPolarHBondContact O-CB 3.4Å; A304-R308 PolarHBondContact O-N 2.71Å; V305-R308 PolarHBondContact O-N 3.24Å; R308-K310 VanDerWaalsContact C-N 3.3Å; R308-K310 PolarHBondContact O-N 3.37Å; R308-S311 WeakPolarHBondContact CA-OG 3.49Å; R308-S311 PolarHBondContact O-N 2.86Å; R308-S311 PolarHBondContact O-OG 2.78Å; R308-S312 PolarHBondContact O-N 2.96Å; R308-S312 PolarHBondContact O-OG 3.17Å
309	R	57.7	Low	56.6	Low	198 Å²	198	124.3 Å²	124.3	75%	0.747	67%	0.669	S	S	*	*	H	α-helix	trans	-56.6	-40.1	174.6	-92.8	-175.2	164.1	178.8	-4.4	113	V305 M306 W307 S311 S312	V305-R309 PolarHBondContact O-N 3.47Å; M306-R309 PolarHBondContact O-N 2.96Å; W307-R309 PolarHBondContact O-N 2.68Å; R309-S311 VanDerWaalsContact C-N 3.28Å; R309-S311 PolarHBondContact O-N 2.89Å; R309-S312 PolarHBondContact O-OG 3.21Å
310	K	52.7	Low	54.8	Low	181 Å²	181	128.1 Å²	128.1	79%	0.787	68%	0.684	S	S	*	*	H	α-helix	trans	-72	-20	177	-165.4	171.9	-177.4	177.9	0	113.4	M306 W307 R308	M306-K310 WeakPolarHBondContact O-CB 2.88Å; M306-K310 PolarHBondContact O-N 3.13Å; W307-K310 CarbonylContact O-C 3.54Å; W307-K310 PolarHBondContact O-N 2.95Å; R308-K310 VanDerWaalsContact C-N 3.3Å; R308-K310 PolarHBondContact O-N 3.37Å
311	S	51.6	Low	52.8	Low	73 Å²	73	134.1 Å²	134.1	51%	0.51	70%	0.703	S	S	.	*	H	α-helix	trans	-92.1	-26.9	178.7	70.3	0	0	0	0	114.3	W307 R308 R309 D313	W307-S311 WeakPolarHBondContact O-CB 3.27Å; W307-S311 PolarHBondContact O-N 3.01Å; W307-S311 PolarHBondContact O-OG 3.09Å; R308-S311 WeakPolarHBondContact CA-OG 3.49Å; R308-S311 PolarHBondContact O-N 2.86Å; R308-S311 PolarHBondContact O-OG 2.78Å; R309-S311 VanDerWaalsContact C-N 3.28Å; R309-S311 PolarHBondContact O-N 2.89Å; S311-D313 VanDerWaalsContact C-N 3.29Å; S311-D313 PolarHBondContact O-N 3.13Å
312	S	50.6	Low	50.9	Low	92 Å²	92	134.7 Å²	134.7	64%	0.643	72%	0.716	S	S	*	*	H	α-helix	trans	-70.3	-22.8	179.1	45.4	0	0	0	0	113.9	R308 R309 R314	R308-S312 PolarHBondContact O-N 2.96Å; R308-S312 PolarHBondContact O-OG 3.17Å; R309-S312 PolarHBondContact O-OG 3.21Å; S312-R314 PolarHBondContact O-N 3.27Å
313	D	47.3	Very low	49	Very low	154 Å²	154	135.7 Å²	135.7	82%	0.824	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	2.2	-175.4	-116.6	15.3	0	0	0	114.4	S311	S311-D313 VanDerWaalsContact C-N 3.29Å; S311-D313 PolarHBondContact O-N 3.13Å
314	R	46.4	Very low	47.2	Very low	222 Å²	222	138.1 Å²	138.1	84%	0.838	75%	0.747	S	S	*	*	S	Bend	trans	-147.3	63.6	-169.9	-158.3	176	-178.6	166.5	1.2	115.9	S312	S312-R314 PolarHBondContact O-N 3.27Å
315	K	37	Very low	45.5	Very low	211 Å²	211	141.2 Å²	141.2	92%	0.917	77%	0.765	S	S	*	*			trans	-163.2	99.1	148	-112.9	166.3	-175.6	-177.3	0	113.2
316	G	34.8	Very low	43.8	Very low	78 Å²	78	144.2 Å²	144.2	80%	0.804	78%	0.779	S	S	*	*			trans	-87.9	151.9	158.2	0	0	0	0	0	110.5
317	G	33.2	Very low	42.4	Very low	83 Å²	83	143.7 Å²	143.7	86%	0.856	79%	0.788	S	S	*	*			trans	-71.3	172.5	-159.7	0	0	0	0	0	119.3
318	S	31.7	Very low	41	Very low	120 Å²	120	138.4 Å²	138.4	84%	0.839	79%	0.787	S	S	*	*			trans	-160.7	150.1	138	-172.4	0	0	0	0	110.9
319	Y	33.6	Very low	39.9	Very low	211 Å²	211	138.4 Å²	138.4	83%	0.827	80%	0.796	S	S	*	*			trans	-71.3	171	160.5	-57.1	-102.5	0	0	0	109.1
320	T	34.8	Very low	38.9	Very low	120 Å²	120	132.3 Å²	132.3	74%	0.736	79%	0.794	S	S	*	*			cis	-150.7	-176.4	12.7	-20.2	0	0	0	0	106.3
321	Q	33.9	Very low	38.3	Very low	184 Å²	184	129 Å²	129	86%	0.86	79%	0.794	S	S	*	*			cis	-153.5	-170	7.4	-159.3	154.7	-62.2	0	0	109.8
322	A	35.6	Very low	37.9	Very low	95 Å²	95	132.3 Å²	132.3	79%	0.785	81%	0.806	S	S	*	*			trans	-116.6	161.6	-173.3	0	0	0	0	0	115.1
323	A	33.6	Very low	37.2	Very low	106 Å²	106	134 Å²	134	88%	0.876	81%	0.812	S	S	*	*			trans	-146.3	148.1	160.3	0	0	0	0	0	110.5
324	S	32.9	Very low	37	Very low	106 Å²	106	131.4 Å²	131.4	74%	0.741	81%	0.806	S	S	*	*			trans	-83.6	152.2	-168.3	-178.2	0	0	0	0	114.9
325	S	36.1	Very low	36.9	Very low	119 Å²	119	129 Å²	129	83%	0.832	81%	0.809	S	S	*	*				-165.4	143.2	127.2	12	0	0	0	0	112.1
326	D	35.3	Very low	37.1	Very low	145 Å²	145	125.6 Å²	125.6	78%	0.775	81%	0.806	S	S	*	*			trans	-81.1	152.3	178.3	-60	-83	0	0	0	113.4
327	S	41.7	Very low	37.3	Very low	116 Å²	116	126.4 Å²	126.4	81%	0.811	81%	0.805	S	S	*	*				177	114.5	104.3	37.6	0	0	0	0	114.8
328	A	37.6	Very low	37.5	Very low	93 Å²	93	128.8 Å²	128.8	77%	0.769	81%	0.807	S	S	*	*			trans	35.1	151.9	137.4	0	0	0	0	0	124.6
329	Q	40.5	Very low	38	Very low	200 Å²	200	136.2 Å²	136.2	94%	0.935	82%	0.824	S	S	*	*			trans	74.8	126.9	166.2	-58.4	-177.4	-13.7	0	0	117.3
330	G	35.6	Very low	38.2	Very low	69 Å²	69	132.5 Å²	132.5	71%	0.711	82%	0.824	S	S	*	*			cis	166	142.4	-11.5	0	0	0	0	0	114.4
331	S	41.3	Very low	38.4	Very low	111 Å²	111	133.2 Å²	133.2	78%	0.776	83%	0.829	S	S	*	*			trans	61	110.5	162.6	-55.7	0	0	0	0	117.9
332	D	41.6	Very low	38.6	Very low	143 Å²	143	130.3 Å²	130.3	77%	0.765	83%	0.827	S	S	*	*				78.8	109.1	68.6	-74.8	-33.5	0	0	0	112.7
333	V	37.7	Very low	38.8	Very low	128 Å²	128	132.4 Å²	132.4	78%	0.776	83%	0.829	S	S	*	*				84.8	135.7	87.9	159.4	0	0	0	0	110.9
334	S	41.7	Very low	39.1	Very low	100 Å²	100	134.1 Å²	134.1	70%	0.699	83%	0.827	S	S	*	*			cis	-133.8	163.2	26.2	-48.5	0	0	0	0	115.9
335	L	44.5	Very low	39.6	Very low	171 Å²	171	135.9 Å²	135.9	90%	0.895	83%	0.832	S	S	*	*			trans	-60.1	142.8	145.2	-70.3	154.2	0	0	0	111.3
336	T	41	Very low	39.8	Very low	140 Å²	140	137.1 Å²	137.1	86%	0.859	83%	0.832	S	S	*	*			trans	-146.2	134	137.8	-32.6	0	0	0	0	109.9
337	A	39.6	Very low	40.2	Very low	94 Å²	94	136.5 Å²	136.5	78%	0.777	84%	0.837	S	S	*	*			trans	-107.8	155.4	165	0	0	0	0	0	109.3
338	C	36.6	Very low	40	Very low	133 Å²	133	138.3 Å²	138.3	90%	0.899	84%	0.839	S	S	*	*			trans	-146.5	173.6	161	-140.2	0	0	0	0	111.3
339	K	42.7	Very low	40.2	Very low	277 Å²	277	142.4 Å²	142.4	100%	1.204	85%	0.845	S	S	*	*			trans	-75.2	0	-175.5	-66	169.3	176	173.5	0	112.7

Retrieved 339 of 339 residues in 1769.8 ms (Link to these results)

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