A0A583ZBM9_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A583ZBM9, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 181 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	S	93.3	Very high	98.1	Very high	95 Å²	95	37.9 Å²	37.9	66%	0.664	20%	0.2	S	C	*	.				0	147.4	0	-54.4	0	0	0	0	107.8	L102	S1-L102 WeakPolarHBondContact CA-O 3.29Å; S1-L102 VanDerWaalsContact CB-O 3.29Å; S1-L102 WeakPolarHBondContact CB-O 3.31Å
2	H	97.4	Very high	98	Very high	52 Å²	52	36.4 Å²	36.4	24%	0.241	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	159.4	-179.1	-67.5	-76.4	0	0	0	109.8	D28 D101 L102 L167 L171	H2-D28 WeakPolarHBondContact CA-OD1 3.48Å; H2-D28 IonicContact CE1-OD2 2.8Å; H2-D28 IonicContact CG-OD2 3.73Å; H2-D28 IonicContact ND1-OD1 2.63Å; H2-D28 IonicContact ND1-OD2 3.07Å; H2-D28 PolarHBondContact ND1-OD2 3.47Å; H2-D101 CarbonylContact O-C 3.57Å; H2-D101 WeakPolarHBondContact O-CA 3.49Å; H2-L102 PolarHBondContact N-O 3.49Å; H2-L102 VanDerWaalsContact N-O 3.11Å; H2-L102 PolarHBondContact O-N 2.82Å; H2-L167 HydrophobicContact CB-CD1 4.37Å; H2-L171 HydrophobicContact CB-CD1 3.65Å; H2-L171 HydrophobicContact CB-CD2 4.02Å; H2-L171 HydrophobicContact CB-CG 4.4Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.48Å
3	S	98.4	Very high	97.8	Very high	28 Å²	28	38.7 Å²	38.7	20%	0.196	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	151.5	178.9	62.3	0	0	0	0	111.5	V27 D28 C100 D101	S3-V27 CarbonylContact O-C 3.58Å; S3-V27 WeakPolarHBondContact O-CA 3.45Å; S3-D28 PolarHBondContact N-OD1 3.36Å; S3-D28 PolarHBondContact O-N 2.95Å; S3-C100 WeakPolarHBondContact CA-O 3.35Å; S3-D101 WeakPolarHBondContact CB-OD1 3.28Å
4	M	98.7	Very high	97.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129	166.8	-172	173.1	60.7	0	0	107.9	Y6 Y26 V27 F32 G99 C100 C163 L167 Y170	M4-Y6 HydrophobicContact CE-CE2 4.09Å; M4-Y6 HydrophobicContact CG-CE2 4.14Å; M4-Y6 HydrophobicContact SD-CE2 4.01Å; M4-Y26 CarbonylContact C-O 3.56Å; M4-Y26 VanDerWaalsContact CA-O 3.29Å; M4-Y26 WeakPolarHBondContact CA-O 3.23Å; M4-V27 HydrophobicContact CG-CG2 4.31Å; M4-F32 HydrophobicContact CG-CE1 4.44Å; M4-F32 HydrophobicContact SD-CZ 4.35Å; M4-G99 CarbonylContact O-C 3.56Å; M4-G99 WeakPolarHBondContact O-CA 3.44Å; M4-C100 PolarHBondContact N-O 3.24Å; M4-C100 PolarHBondContact O-N 2.84Å; M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.28Å; M4-C163 WeakPolarHBondContact CE-O 3.38Å; M4-C163 WeakPolarHBondContact CE-SG 3.49Å; M4-L167 HydrophobicContact CB-CB 4.09Å; M4-L167 HydrophobicContact CB-CD1 4.08Å; M4-L167 HydrophobicContact CB-CD2 4Å; M4-L167 HydrophobicContact CB-CG 4.28Å; M4-L167 HydrophobicContact CE-CB 4.47Å; M4-L167 HydrophobicContact SD-CB 4.48Å; M4-Y170 HydrophobicContact SD-CD2 3.82Å; M4-Y170 HydrophobicContact SD-CE2 3.72Å
5	R	98.7	Very high	96.9	Very high	55 Å²	55	43.3 Å²	43.3	21%	0.208	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	134.5	-178	-64.8	-70.6	176.5	87.9	10.4	110.6	F7 G25 Y26 M97 D101 H112	R5-F7 HydrophobicContact CB-CD2 4.41Å; R5-F7 HydrophobicContact CB-CE2 3.59Å; R5-F7 HydrophobicContact CB-CZ 3.92Å; R5-G25 CarbonylContact O-C 3.55Å; R5-G25 WeakPolarHBondContact O-CA 3.3Å; R5-Y26 PolarHBondContact N-O 2.65Å; R5-Y26 PolarHBondContact O-N 3.38Å; R5-M97 VanDerWaalsContact CD-SD 3.54Å; R5-D101 IonicContact CZ-OD1 3.71Å; R5-D101 IonicContact NE-OD1 3.53Å; R5-D101 IonicContact NH2-OD1 2.74Å; R5-D101 PolarHBondContact NH2-OD1 3Å; R5-D101 IonicContact NH2-OD2 3.7Å; R5-D101 PolarHBondContact NH2-OD2 3.47Å; R5-H112 PolarHBondContact NH2-CE1 3.29Å; R5-H112 PolarHBondContact NH2-NE2 2.83Å
6	Y	98.8	Very high	96.6	Very high	15 Å²	15	54.4 Å²	54.4	6%	0.059	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.2	166.9	-69.2	-89.7	0	0	0	109.5	M4 V24 F32 V33 Y66 M97 F98	M4-Y6 HydrophobicContact CE-CE2 4.09Å; M4-Y6 HydrophobicContact CG-CE2 4.14Å; M4-Y6 HydrophobicContact SD-CE2 4.01Å; Y6-V24 CarbonylContact C-O 3.58Å; Y6-V24 WeakPolarHBondContact CA-O 3.31Å; Y6-F32 HydrophobicContact CE1-CZ 4.1Å; Y6-F32 AromaticContact CZ-CZ 3.82Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.36Å; Y6-V33 HydrophobicContact CE1-CG2 3.95Å; Y6-Y66 WeakPolarHBondContact CE1-OH 3.37Å; Y6-M97 WeakPolarHBondContact O-CA 3.49Å; Y6-F98 VanDerWaalsContact CB-CE1 3.48Å; Y6-F98 VanDerWaalsContact CB-CZ 3.42Å; Y6-F98 AromaticContact CD2-CE2 3.89Å; Y6-F98 HydrophobicContact CD2-CE2 3.89Å; Y6-F98 AromaticContact CD2-CZ 3.98Å; Y6-F98 HydrophobicContact CD2-CZ 3.98Å; Y6-F98 HydrophobicContact CG-CE1 4.38Å; Y6-F98 HydrophobicContact CG-CE2 4.22Å; Y6-F98 AromaticContact CG-CZ 3.83Å; Y6-F98 HydrophobicContact CG-CZ 3.83Å; Y6-F98 PolarHBondContact N-O 2.79Å; Y6-F98 PolarHBondContact O-N 3.49Å; Y6-F98 VanDerWaalsContact O-N 3.13Å
7	F	98.8	Very high	96.2	Very high	80 Å²	80	54.5 Å²	54.5	35%	0.351	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	115.2	177.1	-58	-94.7	0	0	0	108.9	R5 S23 V24 Y26 R96 M97	R5-F7 HydrophobicContact CB-CD2 4.41Å; R5-F7 HydrophobicContact CB-CE2 3.59Å; R5-F7 HydrophobicContact CB-CZ 3.92Å; F7-S23 WeakPolarHBondContact O-CA 3.39Å; F7-V24 HydrophobicContact CB-CG2 3.84Å; F7-V24 HydrophobicContact CD2-CG2 4.23Å; F7-V24 HydrophobicContact CG-CG2 4.47Å; F7-V24 PolarHBondContact N-O 2.77Å; F7-V24 PolarHBondContact O-N 2.92Å; F7-Y26 AromaticContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CE2 4.4Å; F7-Y26 AromaticContact CE2-CD2 3.92Å; F7-Y26 HydrophobicContact CE2-CD2 3.92Å; F7-R96 WeakPolarHBondContact CA-O 3.38Å; F7-M97 HydrophobicContact CD1-CB 4.01Å; F7-M97 HydrophobicContact CD1-CG 3.74Å; F7-M97 HydrophobicContact CE1-CB 4.13Å; F7-M97 HydrophobicContact CE1-CG 3.42Å; F7-M97 VanDerWaalsContact CE1-CG 3.42Å; F7-M97 HydrophobicContact CZ-CG 4.07Å
8	Y	98.8	Very high	96	Very high	14 Å²	14	57.1 Å²	57.1	6%	0.055	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	140.3	173.7	-61	-7.5	0	0	0	109.1	F21 I22 S23 Y66 Q69 Q95 R96 F98	Y8-F21 HydrophobicContact CD1-CZ 4.07Å; Y8-F21 HydrophobicContact CD2-CE2 4.06Å; Y8-F21 AromaticContact CD2-CZ 3.99Å; Y8-F21 HydrophobicContact CD2-CZ 3.99Å; Y8-F21 HydrophobicContact CE2-CZ 4.39Å; Y8-F21 AromaticContact CG-CE2 3.93Å; Y8-F21 HydrophobicContact CG-CE2 3.93Å; Y8-F21 AromaticContact CG-CZ 3.8Å; Y8-F21 HydrophobicContact CG-CZ 3.8Å; Y8-I22 CarbonylContact C-O 3.54Å; Y8-I22 WeakPolarHBondContact CA-O 3.19Å; Y8-S23 WeakPolarHBondContact CD1-OG 3.29Å; Y8-S23 WeakPolarHBondContact CE1-OG 3.18Å; Y8-Y66 HydrophobicContact CE1-CD1 4.16Å; Y8-Y66 AromaticContact CE1-CE1 3.67Å; Y8-Y66 HydrophobicContact CE1-CE1 3.67Å; Y8-Y66 AromaticContact CZ-CE1 3.79Å; Y8-Y66 WeakPolarHBondContact OH-CE1 3.35Å; Y8-Q69 HydrophobicContact CD2-CG 3.7Å; Y8-Q69 HydrophobicContact CE2-CG 3.61Å; Y8-Q95 VanDerWaalsContact O-CA 3.28Å; Y8-Q95 WeakPolarHBondContact O-CA 3.14Å; Y8-R96 PolarHBondContact N-O 2.84Å; Y8-R96 PolarHBondContact O-N 2.84Å; Y8-F98 HydrophobicContact CD1-CE1 4.14Å; Y8-F98 HydrophobicContact CD2-CE1 4.03Å; Y8-F98 AromaticContact CE1-CE1 3.63Å; Y8-F98 HydrophobicContact CE1-CE1 3.63Å; Y8-F98 AromaticContact CE1-CZ 3.94Å; Y8-F98 HydrophobicContact CE1-CZ 3.94Å; Y8-F98 AromaticContact CE2-CE1 3.54Å; Y8-F98 HydrophobicContact CE2-CE1 3.54Å; Y8-F98 HydrophobicContact CE2-CZ 4.01Å; Y8-F98 HydrophobicContact CG-CE1 4.32Å; Y8-F98 AromaticContact CZ-CE1 3.34Å; Y8-F98 AromaticContact CZ-CZ 3.49Å; Y8-F98 VanDerWaalsContact CZ-CZ 3.49Å; Y8-F98 VanDerWaalsContact OH-CZ 3.28Å; Y8-F98 WeakPolarHBondContact OH-CZ 3.33Å
9	T	98.8	Very high	96.1	Very high	31 Å²	31	55.6 Å²	55.6	19%	0.19	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	116.5	174.3	-61.4	0	0	0	0	108.9	M11 F21 I22 T93 L94 Q95	T9-M11 HydrophobicContact CG2-CE 4.38Å; T9-M11 HydrophobicContact CG2-CG 3.96Å; T9-M11 HydrophobicContact CG2-SD 4.3Å; T9-F21 WeakPolarHBondContact O-CA 3.35Å; T9-I22 PolarHBondContact N-O 3.21Å; T9-I22 PolarHBondContact O-N 2.85Å; T9-T93 HydrophobicContact CG2-CG2 3.84Å; T9-L94 WeakPolarHBondContact CA-O 3.4Å; T9-Q95 HydrophobicContact CG2-CG 4.26Å
10	A	98.7	Very high	96.2	Very high	2 Å²	2	56 Å²	56	2%	0.017	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.4	173.1	0	0	0	0	0	109.7	R20 F21 D73 L77 T93 L94	A10-R20 CarbonylContact C-O 3.56Å; A10-R20 VanDerWaalsContact CA-O 3.29Å; A10-R20 WeakPolarHBondContact CA-O 3.5Å; A10-F21 HydrophobicContact CB-CD2 4.39Å; A10-D73 HydrophobicContact CB-CB 3.6Å; A10-L77 HydrophobicContact CB-CD1 3.89Å; A10-T93 WeakPolarHBondContact O-CA 3.29Å; A10-L94 HydrophobicContact CB-CB 4.46Å; A10-L94 PolarHBondContact N-O 2.81Å; A10-L94 PolarHBondContact O-N 3.29Å
11	M	98.4	Very high	96.3	Very high	45 Å²	45	53.4 Å²	53.4	22%	0.222	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115.5	-176.8	-64.6	166.1	-73.2	0	0	110	T9 P19 R20 I22 H92 T93	T9-M11 HydrophobicContact CG2-CE 4.38Å; T9-M11 HydrophobicContact CG2-CG 3.96Å; T9-M11 HydrophobicContact CG2-SD 4.3Å; M11-P19 CarbonylContact O-C 3.58Å; M11-P19 WeakPolarHBondContact O-CA 3.47Å; M11-P19 WeakPolarHBondContact O-CB 3.42Å; M11-R20 HydrophobicContact CE-CB 4.25Å; M11-R20 HydrophobicContact CE-CG 4.22Å; M11-R20 PolarHBondContact N-O 3.45Å; M11-R20 PolarHBondContact O-N 3.22Å; M11-I22 HydrophobicContact CE-CD1 3.92Å; M11-H92 WeakPolarHBondContact CA-O 3.47Å; M11-T93 HydrophobicContact CG-CG2 3.95Å
12	S	97.6	Very high	96.5	Very high	20 Å²	20	50.1 Å²	50.1	14%	0.14	27%	0.27	C	S	.	.			trans	-71.3	144.7	173.5	77.2	0	0	0	0	111	S91 H92	S12-S91 WeakPolarHBondContact O-CB 3.2Å; S12-S91 PolarHBondContact O-OG 3.28Å; S12-H92 PolarHBondContact N-O 3.44Å; S12-H92 PolarHBondContact OG-N 3.06Å; S12-H92 PolarHBondContact OG-O 3.42Å
13	R	95.3	Very high	96.6	Very high	66 Å²	66	47.7 Å²	47.7	25%	0.249	26%	0.259	C	S	.	.			trans	-139.7	74.9	-174.2	-59.5	166.9	174.4	-169.5	-12.1	110.6	G15 R16 D38	R13-G15 PolarHBondContact O-N 3.32Å; R13-R16 HydrophobicContact CB-CB 4.09Å; R13-R16 PolarHBondContact O-N 3.08Å; R13-D38 IonicContact CZ-OD2 3.34Å; R13-D38 IonicContact NH1-OD1 3.09Å; R13-D38 IonicContact NH1-OD2 3.13Å; R13-D38 PolarHBondContact NH1-OD2 3.06Å; R13-D38 IonicContact NH2-OD2 3.5Å
14	P	91.3	Very high	96.6	Very high	57 Å²	57	47.4 Å²	47.4	37%	0.37	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	129.4	-177.9	-26.9	34.9	0	0	0	111.9	R16 E88 G90	P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 3.1Å; P14-E88 WeakPolarHBondContact CB-O 3.23Å; P14-E88 VanDerWaalsContact CG-O 3.27Å; P14-E88 WeakPolarHBondContact CG-O 3.42Å; P14-G90 WeakPolarHBondContact CG-O 3.45Å
15	G	90.7	Very high	96.6	Very high	90 Å²	90	47.4 Å²	47.4	93%	0.928	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	2.6	-178.9	0	0	0	0	0	116.1	R13	R13-G15 PolarHBondContact O-N 3.32Å
16	R	91.1	Very high	96.6	Very high	220 Å²	220	48.1 Å²	48.1	83%	0.83	26%	0.259	S	S	*	.	S	Bend	trans	-124	23.4	179.6	-58.3	-173.7	179.6	-176.3	0.5	113.6	R13 P14	R13-R16 HydrophobicContact CB-CB 4.09Å; R13-R16 PolarHBondContact O-N 3.08Å; P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 3.1Å
17	G	90.3	Very high	96.6	Very high	57 Å²	57	47.4 Å²	47.4	59%	0.588	26%	0.257	S	S	*	.	S	Bend	trans	96.2	-155	178.1	0	0	0	0	0	113.6
18	E	93.3	Very high	96.5	Very high	101 Å²	101	45.5 Å²	45.5	47%	0.472	25%	0.25	S	S	.	.	S	Bend	trans	-72.5	158.8	-178.5	-64.7	-57.2	161.9	0	0	112.6	R20 R74	E18-R20 PolarHBondContact O-N 3.11Å; E18-R74 VanDerWaalsContact CD-NE 3.31Å; E18-R74 IonicContact OE1-CZ 3.5Å; E18-R74 IonicContact OE1-NE 2.66Å; E18-R74 IonicContact OE1-NH1 3.31Å; E18-R74 IonicContact OE1-NH2 2.82Å; E18-R74 PolarHBondContact OE1-NH2 2.73Å; E18-R74 WeakPolarHBondContact OE2-CD 3.36Å; E18-R74 IonicContact OE2-CZ 3.56Å; E18-R74 IonicContact OE2-NE 3.63Å; E18-R74 PolarHBondContact OE2-NE 3.04Å; E18-R74 IonicContact OE2-NH2 3.35Å; E18-R74 PolarHBondContact OE2-NH2 3.09Å
19	P	96.7	Very high	96.4	Very high	28 Å²	28	52.4 Å²	52.4	18%	0.182	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-55.7	135.5	171.4	-24.1	34.7	0	0	0	111.3	M11 R74 L77	M11-P19 CarbonylContact O-C 3.58Å; M11-P19 WeakPolarHBondContact O-CA 3.47Å; M11-P19 WeakPolarHBondContact O-CB 3.42Å; P19-R74 HydrophobicContact CG-CB 4.27Å; P19-R74 HydrophobicContact CG-CG 4.13Å; P19-L77 HydrophobicContact CB-CD1 3.66Å; P19-L77 HydrophobicContact CG-CD1 3.85Å
20	R	98.2	Very high	96.4	Very high	64 Å²	64	53.7 Å²	53.7	24%	0.242	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	132	169.9	176.7	-175.5	-169.9	176.6	11	109.1	A10 M11 E18 I22 D36 S37 D38	A10-R20 CarbonylContact C-O 3.56Å; A10-R20 VanDerWaalsContact CA-O 3.29Å; A10-R20 WeakPolarHBondContact CA-O 3.5Å; M11-R20 HydrophobicContact CE-CB 4.25Å; M11-R20 HydrophobicContact CE-CG 4.22Å; M11-R20 PolarHBondContact N-O 3.45Å; M11-R20 PolarHBondContact O-N 3.22Å; E18-R20 PolarHBondContact O-N 3.11Å; R20-I22 HydrophobicContact CG-CG1 4.16Å; R20-D36 IonicContact CZ-OD1 2.79Å; R20-D36 IonicContact CZ-OD2 2.68Å; R20-D36 IonicContact NE-OD1 3.58Å; R20-D36 PolarHBondContact NE-OD1 3.17Å; R20-D36 IonicContact NE-OD2 3.67Å; R20-D36 IonicContact NH2-OD1 3.82Å; R20-D36 PolarHBondContact NH2-OD1 2.93Å; R20-D36 IonicContact NH2-OD2 3.69Å; R20-D36 PolarHBondContact NH2-OD2 2.68Å; R20-S37 WeakPolarHBondContact CA-OG 3.46Å; R20-D38 VanDerWaalsContact CD-OD2 3.24Å; R20-D38 WeakPolarHBondContact CD-OD2 3.39Å; R20-D38 HydrophobicContact CG-CB 4.35Å; R20-D38 IonicContact NE-OD2 3.4Å
21	F	98.7	Very high	96.3	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.009	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.3	172.9	175.9	-93.6	0	0	0	110	Y8 T9 A10 F35 S37 Y66 Q69 A70 D73	Y8-F21 HydrophobicContact CD1-CZ 4.07Å; Y8-F21 HydrophobicContact CD2-CE2 4.06Å; Y8-F21 AromaticContact CD2-CZ 3.99Å; Y8-F21 HydrophobicContact CD2-CZ 3.99Å; Y8-F21 HydrophobicContact CE2-CZ 4.39Å; Y8-F21 AromaticContact CG-CE2 3.93Å; Y8-F21 HydrophobicContact CG-CE2 3.93Å; Y8-F21 AromaticContact CG-CZ 3.8Å; Y8-F21 HydrophobicContact CG-CZ 3.8Å; T9-F21 WeakPolarHBondContact O-CA 3.35Å; A10-F21 HydrophobicContact CB-CD2 4.39Å; F21-F35 AromaticContact CD1-CD1 3.7Å; F21-F35 HydrophobicContact CD1-CD1 3.7Å; F21-F35 AromaticContact CD1-CE1 3.82Å; F21-F35 HydrophobicContact CD1-CE1 3.82Å; F21-F35 AromaticContact CE1-CD1 3.91Å; F21-F35 HydrophobicContact CE1-CD1 3.91Å; F21-F35 HydrophobicContact CE1-CE1 4.32Å; F21-S37 PolarHBondContact N-OG 3.31Å; F21-S37 PolarHBondContact O-N 3.13Å; F21-S37 PolarHBondContact O-OG 2.99Å; F21-Y66 HydrophobicContact CE1-CD1 4.09Å; F21-Y66 HydrophobicContact CE1-CG 4.38Å; F21-Y66 HydrophobicContact CZ-CD1 4.3Å; F21-Q69 HydrophobicContact CE2-CB 4.34Å; F21-Q69 HydrophobicContact CE2-CG 3.68Å; F21-Q69 HydrophobicContact CZ-CB 4.07Å; F21-Q69 HydrophobicContact CZ-CG 3.73Å; F21-A70 HydrophobicContact CB-CB 3.64Å; F21-A70 HydrophobicContact CD1-CB 3.98Å; F21-A70 HydrophobicContact CD2-CB 4.41Å; F21-A70 HydrophobicContact CG-CB 3.76Å; F21-D73 HydrophobicContact CD2-CB 4.47Å; F21-D73 WeakPolarHBondContact CD2-OD2 3.5Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.48Å
22	I	98.8	Very high	96.3	Very high	26 Å²	26	54 Å²	54	13%	0.133	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.6	172.6	-61.3	167.1	0	0	0	107.8	Y8 T9 M11 R20 V24 F35	Y8-I22 CarbonylContact C-O 3.54Å; Y8-I22 WeakPolarHBondContact CA-O 3.19Å; T9-I22 PolarHBondContact N-O 3.21Å; T9-I22 PolarHBondContact O-N 2.85Å; M11-I22 HydrophobicContact CE-CD1 3.92Å; R20-I22 HydrophobicContact CG-CG1 4.16Å; I22-V24 HydrophobicContact CG2-CG1 4.27Å; I22-F35 WeakPolarHBondContact CA-O 3.41Å
23	S	98.8	Very high	96.4	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.7	166.1	169.2	0	0	0	0	109.4	F7 Y8 R34 F35 Y66	F7-S23 WeakPolarHBondContact O-CA 3.39Å; Y8-S23 WeakPolarHBondContact CD1-OG 3.29Å; Y8-S23 WeakPolarHBondContact CE1-OG 3.18Å; S23-R34 CarbonylContact O-C 3.57Å; S23-R34 WeakPolarHBondContact O-CA 3.32Å; S23-F35 PolarHBondContact N-O 3.22Å; S23-F35 PolarHBondContact O-N 2.73Å; S23-Y66 WeakPolarHBondContact OG-CE1 3.48Å
24	V	98.9	Very high	96.5	Very high	22 Å²	22	52.9 Å²	52.9	13%	0.133	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.2	168.2	-64.2	0	0	0	0	109.8	Y6 F7 I22 Y26 Q31 V33 R34	Y6-V24 CarbonylContact C-O 3.58Å; Y6-V24 WeakPolarHBondContact CA-O 3.31Å; F7-V24 HydrophobicContact CB-CG2 3.84Å; F7-V24 HydrophobicContact CD2-CG2 4.23Å; F7-V24 HydrophobicContact CG-CG2 4.47Å; F7-V24 PolarHBondContact N-O 2.77Å; F7-V24 PolarHBondContact O-N 2.92Å; I22-V24 HydrophobicContact CG2-CG1 4.27Å; V24-Y26 HydrophobicContact CB-CE2 4.2Å; V24-Y26 HydrophobicContact CG2-CD2 4.42Å; V24-Y26 HydrophobicContact CG2-CE2 3.85Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.33Å; V24-V33 WeakPolarHBondContact CA-O 3.33Å; V24-R34 HydrophobicContact CG1-CB 4.42Å; V24-R34 HydrophobicContact CG1-CG 4.13Å
25	G	98.8	Very high	96.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139.4	177.1	0	0	0	0	0	111.2	R5 Q31 F32 V33	R5-G25 CarbonylContact O-C 3.55Å; R5-G25 WeakPolarHBondContact O-CA 3.3Å; G25-Q31 WeakPolarHBondContact O-CA 3.47Å; G25-F32 WeakPolarHBondContact O-CD1 3.42Å; G25-F32 PolarHBondContact O-N 3.01Å; G25-V33 PolarHBondContact N-O 3.24Å; G25-V33 VanDerWaalsContact N-O 3.11Å
26	Y	98.8	Very high	97.3	Very high	71 Å²	71	47 Å²	47	28%	0.278	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.5	177.8	-76.1	-100	0	0	0	110.8	M4 R5 F7 V24 T30 Q31	M4-Y26 CarbonylContact C-O 3.56Å; M4-Y26 VanDerWaalsContact CA-O 3.29Å; M4-Y26 WeakPolarHBondContact CA-O 3.23Å; R5-Y26 PolarHBondContact N-O 2.65Å; R5-Y26 PolarHBondContact O-N 3.38Å; F7-Y26 AromaticContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CE2 4.4Å; F7-Y26 AromaticContact CE2-CD2 3.92Å; F7-Y26 HydrophobicContact CE2-CD2 3.92Å; V24-Y26 HydrophobicContact CB-CE2 4.2Å; V24-Y26 HydrophobicContact CG2-CD2 4.42Å; V24-Y26 HydrophobicContact CG2-CE2 3.85Å; Y26-T30 WeakPolarHBondContact CA-O 3.28Å; Y26-Q31 HydrophobicContact CD1-CB 4.07Å; Y26-Q31 HydrophobicContact CD2-CG 4.47Å; Y26-Q31 HydrophobicContact CE1-CB 3.57Å; Y26-Q31 HydrophobicContact CE1-CG 4.31Å; Y26-Q31 HydrophobicContact CE2-CB 4.17Å; Y26-Q31 HydrophobicContact CE2-CG 3.99Å
27	V	98.5	Very high	97.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.9	157.8	174.9	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 3.45Å; M4-V27 HydrophobicContact CG-CG2 4.31Å; V27-D29 PolarHBondContact O-N 3.12Å; V27-T30 PolarHBondContact N-O 3.44Å; V27-T30 WeakPolarHBondContact O-CB 3.38Å; V27-T30 PolarHBondContact O-N 3.26Å; V27-F32 HydrophobicContact CG2-CD1 3.91Å; V27-F32 HydrophobicContact CG2-CE1 3.91Å; V27-W50 HydrophobicContact CB-CH2 4.27Å; V27-W50 HydrophobicContact CB-CZ2 4.36Å; V27-W50 HydrophobicContact CG2-CH2 3.82Å; V27-W50 HydrophobicContact CG2-CZ2 4.4Å; V27-L167 HydrophobicContact CG1-CD1 3.65Å; V27-L167 HydrophobicContact CG2-CD1 4.28Å; V27-Y170 HydrophobicContact CG2-CD2 4Å; V27-Y170 HydrophobicContact CG2-CG 4.48Å; V27-L171 HydrophobicContact CG1-CD2 4.11Å; V27-L178 HydrophobicContact CB-CD1 4.39Å; V27-L178 HydrophobicContact CG1-CD1 3.84Å; V27-L178 HydrophobicContact CG1-CD2 4.32Å
28	D	96.9	Very high	98	Very high	40 Å²	40	39.4 Å²	39.4	21%	0.214	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	-126.5	-164.7	-55.9	-40	0	0	0	110.2	H2 S3 T30	H2-D28 WeakPolarHBondContact CA-OD1 3.48Å; H2-D28 IonicContact CE1-OD2 2.8Å; H2-D28 IonicContact CG-OD2 3.73Å; H2-D28 IonicContact ND1-OD1 2.63Å; H2-D28 IonicContact ND1-OD2 3.07Å; H2-D28 PolarHBondContact ND1-OD2 3.47Å; S3-D28 PolarHBondContact N-OD1 3.36Å; S3-D28 PolarHBondContact O-N 2.95Å; D28-T30 VanDerWaalsContact C-N 3.32Å
29	D	96.1	Very high	98.1	Very high	159 Å²	159	36.4 Å²	36.4	85%	0.85	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	8.2	178.9	-60.3	-52.4	0	0	0	113.4	V27	V27-D29 PolarHBondContact O-N 3.12Å
30	T	97.7	Very high	98.1	Very high	57 Å²	57	40.6 Å²	40.6	35%	0.35	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	113.4	-176.5	-57.5	0	0	0	0	111.4	Y26 V27 D28 F32 A48 L178	Y26-T30 WeakPolarHBondContact CA-O 3.28Å; V27-T30 PolarHBondContact N-O 3.44Å; V27-T30 WeakPolarHBondContact O-CB 3.38Å; V27-T30 PolarHBondContact O-N 3.26Å; D28-T30 VanDerWaalsContact C-N 3.32Å; T30-F32 PolarHBondContact O-N 2.93Å; T30-A48 HydrophobicContact CG2-CB 4.35Å; T30-L178 HydrophobicContact CG2-CD2 4.22Å
31	Q	98.3	Very high	98.1	Very high	54 Å²	54	41.3 Å²	41.3	25%	0.252	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	126.9	171.5	-167.3	-176.6	-8.1	0	0	110.1	V24 G25 Y26 V33 R47	V24-Q31 VanDerWaalsContact CG1-NE2 3.33Å; G25-Q31 WeakPolarHBondContact O-CA 3.47Å; Y26-Q31 HydrophobicContact CD1-CB 4.07Å; Y26-Q31 HydrophobicContact CD2-CG 4.47Å; Y26-Q31 HydrophobicContact CE1-CB 3.57Å; Y26-Q31 HydrophobicContact CE1-CG 4.31Å; Y26-Q31 HydrophobicContact CE2-CB 4.17Å; Y26-Q31 HydrophobicContact CE2-CG 3.99Å; Q31-V33 PolarHBondContact NE2-O 2.83Å; Q31-R47 HydrophobicContact CG-CB 4.24Å; Q31-R47 HydrophobicContact CG-CG 4.46Å; Q31-R47 CarbonylContact O-C 3.49Å
32	F	98.4	Very high	98	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-22.2	-177.9	75.7	-83	0	0	0	114.3	M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170	M4-F32 HydrophobicContact CG-CE1 4.44Å; M4-F32 HydrophobicContact SD-CZ 4.35Å; Y6-F32 HydrophobicContact CE1-CZ 4.1Å; Y6-F32 AromaticContact CZ-CZ 3.82Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.36Å; G25-F32 WeakPolarHBondContact O-CD1 3.42Å; G25-F32 PolarHBondContact O-N 3.01Å; V27-F32 HydrophobicContact CG2-CD1 3.91Å; V27-F32 HydrophobicContact CG2-CE1 3.91Å; T30-F32 PolarHBondContact O-N 2.93Å; F32-R47 PolarHBondContact O-N 3.44Å; F32-A48 HydrophobicContact CB-CB 4.12Å; F32-W50 HydrophobicContact CB-CH2 3.17Å; F32-W50 HydrophobicContact CB-CZ2 3.33Å; F32-W50 HydrophobicContact CB-CZ3 4.04Å; F32-W50 HydrophobicContact CD1-CH2 4.04Å; F32-W50 AromaticContact CD2-CH2 3.71Å; F32-W50 HydrophobicContact CD2-CH2 3.71Å; F32-W50 HydrophobicContact CD2-CZ3 4.02Å; F32-W50 AromaticContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CZ2 4.03Å; F32-W50 HydrophobicContact CG-CZ3 4.16Å; F32-I51 HydrophobicContact CD2-CB 4.41Å; F32-I51 HydrophobicContact CD2-CD1 3.84Å; F32-I51 HydrophobicContact CD2-CG1 3.96Å; F32-I51 HydrophobicContact CE2-CD1 4.13Å; F32-I51 WeakPolarHBondContact O-CG2 3.29Å; F32-Y170 HydrophobicContact CE2-CD2 4.18Å; F32-Y170 AromaticContact CE2-CE2 3.74Å; F32-Y170 HydrophobicContact CE2-CE2 3.74Å; F32-Y170 HydrophobicContact CZ-CD2 4.23Å; F32-Y170 AromaticContact CZ-CE2 3.87Å; F32-Y170 HydrophobicContact CZ-CE2 3.87Å
33	V	98.7	Very high	98	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	156.5	175.9	-72.9	0	0	0	0	112.6	Y6 V24 G25 Q31 E44 E45 I51 W59	Y6-V33 HydrophobicContact CE1-CG2 3.95Å; V24-V33 WeakPolarHBondContact CA-O 3.33Å; G25-V33 PolarHBondContact N-O 3.24Å; G25-V33 VanDerWaalsContact N-O 3.11Å; Q31-V33 PolarHBondContact NE2-O 2.83Å; V33-E44 HydrophobicContact CB-CG 4Å; V33-E44 WeakPolarHBondContact CB-OE1 3.4Å; V33-E44 HydrophobicContact CG1-CG 4.11Å; V33-E44 WeakPolarHBondContact CG2-OE1 3.19Å; V33-E45 WeakPolarHBondContact CA-O 3.37Å; V33-I51 HydrophobicContact CG1-CG1 4.33Å; V33-W59 HydrophobicContact CG1-CH2 4.09Å; V33-W59 HydrophobicContact CG1-CZ3 3.93Å
34	R	98.7	Very high	98	Very high	63 Å²	63	48.8 Å²	48.8	24%	0.238	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	141.1	171.6	-178.8	177.2	174.2	85.5	5.2	110.9	S23 V24 D36 E44 E45 R47	S23-R34 CarbonylContact O-C 3.57Å; S23-R34 WeakPolarHBondContact O-CA 3.32Å; V24-R34 HydrophobicContact CG1-CB 4.42Å; V24-R34 HydrophobicContact CG1-CG 4.13Å; R34-D36 IonicContact CZ-OD2 2.68Å; R34-D36 IonicContact NE-OD2 3.7Å; R34-D36 IonicContact NH2-OD2 3.73Å; R34-D36 PolarHBondContact NH2-OD2 2.77Å; R34-E44 WeakPolarHBondContact O-CA 3.46Å; R34-E45 PolarHBondContact N-O 3.21Å; R34-E45 PolarHBondContact O-N 2.93Å; R34-R47 HydrophobicContact CB-CG 3.96Å
35	F	98.8	Very high	97.9	Very high	3 Å²	3	50.6 Å²	50.6	1%	0.013	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	143.3	163.4	177.5	-83	0	0	0	109.6	F21 I22 S23 P42 R43 T63 Y66 K67	F21-F35 AromaticContact CD1-CD1 3.7Å; F21-F35 HydrophobicContact CD1-CD1 3.7Å; F21-F35 AromaticContact CD1-CE1 3.82Å; F21-F35 HydrophobicContact CD1-CE1 3.82Å; F21-F35 AromaticContact CE1-CD1 3.91Å; F21-F35 HydrophobicContact CE1-CD1 3.91Å; F21-F35 HydrophobicContact CE1-CE1 4.32Å; I22-F35 WeakPolarHBondContact CA-O 3.41Å; S23-F35 PolarHBondContact N-O 3.22Å; S23-F35 PolarHBondContact O-N 2.73Å; F35-P42 HydrophobicContact CE2-CB 4.03Å; F35-P42 HydrophobicContact CZ-CB 3.78Å; F35-R43 VanDerWaalsContact CD2-C 3.44Å; F35-R43 WeakPolarHBondContact CD2-O 3.47Å; F35-T63 HydrophobicContact CE2-CG2 4.49Å; F35-Y66 HydrophobicContact CB-CD2 3.78Å; F35-Y66 HydrophobicContact CB-CE2 4.34Å; F35-Y66 HydrophobicContact CB-CG 3.98Å; F35-Y66 HydrophobicContact CD1-CG 4.44Å; F35-Y66 AromaticContact CD2-CD2 3.97Å; F35-Y66 HydrophobicContact CD2-CD2 3.97Å; F35-Y66 HydrophobicContact CD2-CG 4.21Å; F35-Y66 AromaticContact CG-CD2 3.99Å; F35-Y66 HydrophobicContact CG-CD2 3.99Å; F35-Y66 AromaticContact CG-CG 3.96Å; F35-Y66 HydrophobicContact CG-CG 3.96Å; F35-K67 HydrophobicContact CE2-CG 4.29Å; F35-K67 HydrophobicContact CZ-CG 4.06Å
36	D	98.7	Very high	97.9	Very high	21 Å²	21	52.9 Å²	52.9	11%	0.112	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	118.5	177	-161.4	-29.4	0	0	0	110.4	R20 R34 D38 A39	R20-D36 IonicContact CZ-OD1 2.79Å; R20-D36 IonicContact CZ-OD2 2.68Å; R20-D36 IonicContact NE-OD1 3.58Å; R20-D36 PolarHBondContact NE-OD1 3.17Å; R20-D36 IonicContact NE-OD2 3.67Å; R20-D36 IonicContact NH2-OD1 3.82Å; R20-D36 PolarHBondContact NH2-OD1 2.93Å; R20-D36 IonicContact NH2-OD2 3.69Å; R20-D36 PolarHBondContact NH2-OD2 2.68Å; R34-D36 IonicContact CZ-OD2 2.68Å; R34-D36 IonicContact NE-OD2 3.7Å; R34-D36 IonicContact NH2-OD2 3.73Å; R34-D36 PolarHBondContact NH2-OD2 2.77Å; D36-D38 PolarHBondContact O-N 2.91Å; D36-D38 PolarHBondContact OD1-N 2.93Å; D36-A39 HydrophobicContact CB-CB 4.45Å; D36-A39 WeakPolarHBondContact O-CB 3.35Å; D36-A39 PolarHBondContact O-N 3.29Å
37	S	98.2	Very high	97.9	Very high	34 Å²	34	55.3 Å²	55.3	24%	0.238	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-21.3	-178.8	67.8	0	0	0	0	113.5	R20 F21 A39 P42	R20-S37 WeakPolarHBondContact CA-OG 3.46Å; F21-S37 PolarHBondContact N-OG 3.31Å; F21-S37 PolarHBondContact O-N 3.13Å; F21-S37 PolarHBondContact O-OG 2.99Å; S37-A39 VanDerWaalsContact C-N 3.33Å; S37-P42 WeakPolarHBondContact O-CG 3.23Å
38	D	97.3	Very high	97.8	Very high	82 Å²	82	55.6 Å²	55.6	44%	0.439	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-4.3	179.7	-78	12.5	0	0	0	112.7	R13 R20 D36	R13-D38 IonicContact CZ-OD2 3.34Å; R13-D38 IonicContact NH1-OD1 3.09Å; R13-D38 IonicContact NH1-OD2 3.13Å; R13-D38 PolarHBondContact NH1-OD2 3.06Å; R13-D38 IonicContact NH2-OD2 3.5Å; R20-D38 VanDerWaalsContact CD-OD2 3.24Å; R20-D38 WeakPolarHBondContact CD-OD2 3.39Å; R20-D38 HydrophobicContact CG-CB 4.35Å; R20-D38 IonicContact NE-OD2 3.4Å; D36-D38 PolarHBondContact O-N 2.91Å; D36-D38 PolarHBondContact OD1-N 2.93Å
39	A	97.2	Very high	97.8	Very high	39 Å²	39	58.6 Å²	58.6	32%	0.322	33%	0.328	S	S	.	.	S	Bend	trans	-63	149.3	175.9	0	0	0	0	0	110.7	D36 S37 S41 P42	D36-A39 HydrophobicContact CB-CB 4.45Å; D36-A39 WeakPolarHBondContact O-CB 3.35Å; D36-A39 PolarHBondContact O-N 3.29Å; S37-A39 VanDerWaalsContact C-N 3.33Å; A39-S41 PolarHBondContact O-N 3.42Å; A39-S41 VanDerWaalsContact O-N 3.15Å; A39-P42 WeakPolarHBondContact O-CD 3.48Å; A39-P42 VanDerWaalsContact O-CG 3.27Å; A39-P42 WeakPolarHBondContact O-CG 3.32Å
40	A	96.8	Very high	97.8	Very high	116 Å²	116	51.8 Å²	51.8	96%	0.959	29%	0.291	S	S	*	.	S	Bend	trans	-59.1	-29.9	178.4	0	0	0	0	0	112.9
41	S	96.7	Very high	97.8	Very high	78 Å²	78	49 Å²	49	55%	0.545	27%	0.274	S	S	.	.	S	Bend	trans	-133.4	89.6	170.7	-169.8	0	0	0	0	108.7	A39 R43	A39-S41 PolarHBondContact O-N 3.42Å; A39-S41 VanDerWaalsContact O-N 3.15Å; S41-R43 PolarHBondContact O-N 3.4Å; S41-R43 VanDerWaalsContact O-N 3.13Å
42	P	97.5	Very high	97.6	Very high	37 Å²	37	52.6 Å²	52.6	24%	0.24	29%	0.291	C	S	.	.			trans	-64.4	113.8	-175.8	-24.5	35.6	0	0	0	112.1	F35 S37 A39 K67	F35-P42 HydrophobicContact CE2-CB 4.03Å; F35-P42 HydrophobicContact CZ-CB 3.78Å; S37-P42 WeakPolarHBondContact O-CG 3.23Å; A39-P42 WeakPolarHBondContact O-CD 3.48Å; A39-P42 VanDerWaalsContact O-CG 3.27Å; A39-P42 WeakPolarHBondContact O-CG 3.32Å; P42-K67 WeakPolarHBondContact O-CE 3.36Å; P42-K67 PolarHBondContact O-NZ 3.11Å
43	R	98.3	Very high	97.5	Very high	143 Å²	143	58.4 Å²	58.4	54%	0.54	32%	0.318	S	S	.	.			trans	-147.7	159.2	177	62.2	-176.8	166.3	-176.3	-4	110.7	F35 S41 E45 T63	F35-R43 VanDerWaalsContact CD2-C 3.44Å; F35-R43 WeakPolarHBondContact CD2-O 3.47Å; S41-R43 PolarHBondContact O-N 3.4Å; S41-R43 VanDerWaalsContact O-N 3.13Å; R43-E45 HydrophobicContact CG-CG 3.99Å; R43-E45 IonicContact NE-OE1 3.95Å; R43-T63 HydrophobicContact CB-CG2 4.14Å
44	E	98.3	Very high	97.4	Very high	6 Å²	6	59 Å²	59	3%	0.028	32%	0.321	C	S	.	.			trans	-71.3	134.2	167.2	-168.1	-179.5	-137.2	0	0	108.9	V33 R34 W59 N62 T63 Y66	V33-E44 HydrophobicContact CB-CG 4Å; V33-E44 WeakPolarHBondContact CB-OE1 3.4Å; V33-E44 HydrophobicContact CG1-CG 4.11Å; V33-E44 WeakPolarHBondContact CG2-OE1 3.19Å; R34-E44 WeakPolarHBondContact O-CA 3.46Å; E44-W59 HydrophobicContact CB-CE3 4.18Å; E44-W59 HydrophobicContact CB-CZ3 4.42Å; E44-W59 HydrophobicContact CG-CE3 4.18Å; E44-W59 HydrophobicContact CG-CZ3 3.94Å; E44-N62 WeakPolarHBondContact OE2-CB 3.13Å; E44-N62 VanDerWaalsContact OE2-CG 3.3Å; E44-N62 PolarHBondContact OE2-ND2 3.01Å; E44-T63 PolarHBondContact N-OG1 2.77Å; E44-Y66 HydrophobicContact CB-CD2 4.17Å; E44-Y66 HydrophobicContact CB-CE2 3.96Å; E44-Y66 VanDerWaalsContact CD-CE2 3.41Å; E44-Y66 HydrophobicContact CG-CD2 4.41Å; E44-Y66 HydrophobicContact CG-CE2 3.75Å; E44-Y66 WeakPolarHBondContact OE1-CE2 3.42Å; E44-Y66 PolarHBondContact OE1-OH 3.13Å
45	E	98.3	Very high	97.3	Very high	59 Å²	59	57.4 Å²	57.4	28%	0.276	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.9	-175.8	-62.6	-178.4	151.2	0	0	110.8	V33 R34 R43 R47	V33-E45 WeakPolarHBondContact CA-O 3.37Å; R34-E45 PolarHBondContact N-O 3.21Å; R34-E45 PolarHBondContact O-N 2.93Å; R43-E45 HydrophobicContact CG-CG 3.99Å; R43-E45 IonicContact NE-OE1 3.95Å; E45-R47 IonicContact OE2-CZ 3.67Å; E45-R47 IonicContact OE2-NH2 2.73Å; E45-R47 PolarHBondContact OE2-NH2 3.19Å
46	P	98.3	Very high	97.2	Very high	49 Å²	49	61.2 Å²	61.2	32%	0.318	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	145.7	174.2	29.8	-35.8	0	0	0	111	I51 E52 W59	P46-I51 HydrophobicContact CB-CG2 3.47Å; P46-I51 VanDerWaalsContact CB-CG2 3.47Å; P46-E52 HydrophobicContact CB-CG 3.84Å; P46-E52 HydrophobicContact CG-CG 4.1Å; P46-W59 HydrophobicContact CB-CH2 3.71Å; P46-W59 HydrophobicContact CB-CZ2 4.06Å; P46-W59 HydrophobicContact CG-CH2 4.33Å; P46-W59 HydrophobicContact CG-CZ2 4.49Å
47	R	98.3	Very high	97.2	Very high	121 Å²	121	67 Å²	67	46%	0.457	38%	0.375	S	S	.	.			trans	-129.6	-1.4	175.6	-59.2	-64.9	170.1	177.7	-2.2	113.4	Q31 F32 R34 E45	Q31-R47 HydrophobicContact CG-CB 4.24Å; Q31-R47 HydrophobicContact CG-CG 4.46Å; Q31-R47 CarbonylContact O-C 3.49Å; F32-R47 PolarHBondContact O-N 3.44Å; R34-R47 HydrophobicContact CB-CG 3.96Å; E45-R47 IonicContact OE2-CZ 3.67Å; E45-R47 IonicContact OE2-NH2 2.73Å; E45-R47 PolarHBondContact OE2-NH2 3.19Å
48	A	96.8	Very high	97.2	Very high	6 Å²	6	66.2 Å²	66.2	5%	0.05	37%	0.367	C	S	.	.	S	Bend	trans	-138.2	145.4	172.8	0	0	0	0	0	110.4	T30 F32 W50 I51	T30-A48 HydrophobicContact CG2-CB 4.35Å; F32-A48 HydrophobicContact CB-CB 4.12Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.28Å; A48-W50 HydrophobicContact CB-CG 4.45Å; A48-W50 HydrophobicContact CB-CZ2 4.08Å; A48-W50 PolarHBondContact O-N 3.07Å; A48-I51 VanDerWaalsContact O-CG2 3.32Å; A48-I51 WeakPolarHBondContact O-CG2 3.3Å; A48-I51 PolarHBondContact O-N 3.31Å
49	P	96.3	Very high	97.2	Very high	103 Å²	103	64.2 Å²	64.2	67%	0.669	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-59.7	-35.9	-174.7	-26.5	35	0	0	0	114.3	I51 E52	P49-I51 PolarHBondContact O-N 2.92Å; P49-E52 WeakPolarHBondContact O-CB 3.42Å; P49-E52 PolarHBondContact O-N 2.94Å; P49-E52 VanDerWaalsContact O-N 3.11Å
50	W	95.8	Very high	97.3	Very high	16 Å²	16	67.4 Å²	67.4	6%	0.061	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-71.3	-11.9	-174.8	53.8	-105.8	0	0	0	114.6	V27 F32 A48 Q53 Y170 N173 L178	V27-W50 HydrophobicContact CB-CH2 4.27Å; V27-W50 HydrophobicContact CB-CZ2 4.36Å; V27-W50 HydrophobicContact CG2-CH2 3.82Å; V27-W50 HydrophobicContact CG2-CZ2 4.4Å; F32-W50 HydrophobicContact CB-CH2 3.17Å; F32-W50 HydrophobicContact CB-CZ2 3.33Å; F32-W50 HydrophobicContact CB-CZ3 4.04Å; F32-W50 HydrophobicContact CD1-CH2 4.04Å; F32-W50 AromaticContact CD2-CH2 3.71Å; F32-W50 HydrophobicContact CD2-CH2 3.71Å; F32-W50 HydrophobicContact CD2-CZ3 4.02Å; F32-W50 AromaticContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CZ2 4.03Å; F32-W50 HydrophobicContact CG-CZ3 4.16Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.28Å; A48-W50 HydrophobicContact CB-CG 4.45Å; A48-W50 HydrophobicContact CB-CZ2 4.08Å; A48-W50 PolarHBondContact O-N 3.07Å; W50-Q53 WeakPolarHBondContact O-CG 3.13Å; W50-Y170 HydrophobicContact CH2-CG 4.25Å; W50-Y170 AromaticContact CZ3-CD1 3.88Å; W50-Y170 HydrophobicContact CZ3-CD1 3.88Å; W50-Y170 HydrophobicContact CZ3-CD2 4.38Å; W50-Y170 AromaticContact CZ3-CG 3.69Å; W50-Y170 HydrophobicContact CZ3-CG 3.69Å; W50-N173 HydrophobicContact CB-CB 4.39Å; W50-L178 HydrophobicContact CZ2-CD1 3.93Å; W50-L178 HydrophobicContact CZ2-CD2 4.34Å
51	I	97.5	Very high	97.3	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-89	-17.9	172.9	-158.7	70.3	0	0	0	111.5	F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170	F32-I51 HydrophobicContact CD2-CB 4.41Å; F32-I51 HydrophobicContact CD2-CD1 3.84Å; F32-I51 HydrophobicContact CD2-CG1 3.96Å; F32-I51 HydrophobicContact CE2-CD1 4.13Å; F32-I51 WeakPolarHBondContact O-CG2 3.29Å; V33-I51 HydrophobicContact CG1-CG1 4.33Å; P46-I51 HydrophobicContact CB-CG2 3.47Å; P46-I51 VanDerWaalsContact CB-CG2 3.47Å; A48-I51 VanDerWaalsContact O-CG2 3.32Å; A48-I51 WeakPolarHBondContact O-CG2 3.3Å; A48-I51 PolarHBondContact O-N 3.31Å; P49-I51 PolarHBondContact O-N 2.92Å; I51-Q53 PolarHBondContact O-N 2.79Å; I51-Q53 VanDerWaalsContact O-N 3.13Å; I51-E54 HydrophobicContact CD1-CG 3.67Å; I51-E54 HydrophobicContact CG1-CG 4Å; I51-E54 VanDerWaalsContact O-CB 3.3Å; I51-E54 WeakPolarHBondContact O-CB 3.49Å; I51-E54 VanDerWaalsContact O-CG 3.31Å; I51-E54 WeakPolarHBondContact O-CG 3.49Å; I51-E54 PolarHBondContact O-N 2.92Å; I51-Y58 HydrophobicContact CD1-CE1 4.42Å; I51-Y58 HydrophobicContact CG1-CE1 4.33Å; I51-W59 HydrophobicContact CB-CH2 4.46Å; I51-W59 HydrophobicContact CG1-CH2 3.86Å; I51-W59 HydrophobicContact CG1-CZ2 4.13Å; I51-W59 HydrophobicContact CG2-CH2 3.73Å; I51-W59 HydrophobicContact CG2-CZ2 4.07Å; I51-W59 WeakPolarHBondContact O-CZ2 3.27Å; I51-Y170 HydrophobicContact CD1-CD1 3.73Å; I51-Y170 HydrophobicContact CD1-CE1 3.35Å
52	E	95.9	Very high	97.4	Very high	129 Å²	129	66.2 Å²	66.2	60%	0.603	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.5	-176.6	-63.9	-178.3	-171.6	0	0	113	P46 P49 E54	P46-E52 HydrophobicContact CB-CG 3.84Å; P46-E52 HydrophobicContact CG-CG 4.1Å; P49-E52 WeakPolarHBondContact O-CB 3.42Å; P49-E52 PolarHBondContact O-N 2.94Å; P49-E52 VanDerWaalsContact O-N 3.11Å; E52-E54 PolarHBondContact O-N 2.9Å
53	Q	94.8	Very high	97.4	Very high	121 Å²	121	65 Å²	65	57%	0.565	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-10.7	173.6	68.1	-177.3	51.6	0	0	114.1	W50 I51 N173	W50-Q53 WeakPolarHBondContact O-CG 3.13Å; I51-Q53 PolarHBondContact O-N 2.79Å; I51-Q53 VanDerWaalsContact O-N 3.13Å; Q53-N173 PolarHBondContact NE2-ND2 3.08Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.13Å; Q53-N173 PolarHBondContact NE2-OD1 3.24Å
54	E	96.8	Very high	97.5	Very high	14 Å²	14	63.7 Å²	63.7	7%	0.065	32%	0.317	C	S	.	.	S	Bend	trans	-64.1	136.8	173	-67.9	-62.4	156.6	0	0	110.9	I51 E52 Y58 W59 R169	I51-E54 HydrophobicContact CD1-CG 3.67Å; I51-E54 HydrophobicContact CG1-CG 4Å; I51-E54 VanDerWaalsContact O-CB 3.3Å; I51-E54 WeakPolarHBondContact O-CB 3.49Å; I51-E54 VanDerWaalsContact O-CG 3.31Å; I51-E54 WeakPolarHBondContact O-CG 3.49Å; I51-E54 PolarHBondContact O-N 2.92Å; E52-E54 PolarHBondContact O-N 2.9Å; E54-Y58 HydrophobicContact CB-CD1 3.58Å; E54-Y58 HydrophobicContact CB-CE1 4.19Å; E54-Y58 HydrophobicContact CB-CG 3.81Å; E54-Y58 HydrophobicContact CG-CD1 3.89Å; E54-Y58 HydrophobicContact CG-CD2 4.36Å; E54-Y58 HydrophobicContact CG-CE1 4.06Å; E54-Y58 HydrophobicContact CG-CG 4.05Å; E54-W59 HydrophobicContact CB-CZ2 4.27Å; E54-W59 PolarHBondContact O-NE1 3.45Å; E54-W59 VanDerWaalsContact O-NE1 3.07Å; E54-R169 IonicContact OE1-CZ 2.91Å; E54-R169 VanDerWaalsContact OE1-CZ 3.3Å; E54-R169 IonicContact OE1-NE 3.92Å; E54-R169 PolarHBondContact OE1-NE 2.9Å; E54-R169 IonicContact OE1-NH2 3.52Å; E54-R169 PolarHBondContact OE1-NH2 3.11Å; E54-R169 VanDerWaalsContact OE1-NH2 3.08Å; E54-R169 IonicContact OE2-CZ 3.54Å; E54-R169 IonicContact OE2-NE 3.59Å; E54-R169 IonicContact OE2-NH2 2.79Å; E54-R169 PolarHBondContact OE2-NH2 3.2Å
55	G	96.9	Very high	97.4	Very high	29 Å²	29	67.1 Å²	67.1	30%	0.299	34%	0.335	S	S	.	.			trans	-70.2	165.4	-178	0	0	0	0	0	113.7	E57 Y58 W59	G55-E57 PolarHBondContact O-N 2.87Å; G55-E57 VanDerWaalsContact O-N 3.16Å; G55-Y58 WeakPolarHBondContact O-CB 3.45Å; G55-Y58 PolarHBondContact O-N 2.96Å; G55-W59 VanDerWaalsContact O-CD1 3.22Å
56	P	97.4	Very high	97.5	Very high	83 Å²	83	64.6 Å²	64.6	54%	0.539	32%	0.323	S	S	.	.	H	α-helix	trans	-56.7	-32.6	-179.5	23.3	-32.6	0	0	0	113.2	Y58 W59 D60	P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 2.87Å; P56-W59 PolarHBondContact O-N 3.42Å; P56-D60 WeakPolarHBondContact O-CB 3.46Å; P56-D60 PolarHBondContact O-N 2.79Å
57	E	97.9	Very high	97.5	Very high	143 Å²	143	66.4 Å²	66.4	67%	0.668	33%	0.326	S	S	*	.	H	α-helix	trans	-63.6	-32.5	179	-60.1	77.9	-171.2	0	0	112.6	G55 R61	G55-E57 PolarHBondContact O-N 2.87Å; G55-E57 VanDerWaalsContact O-N 3.16Å; E57-R61 WeakPolarHBondContact O-CB 3.36Å; E57-R61 PolarHBondContact O-N 3.32Å
58	Y	97.7	Very high	97.5	Very high	16 Å²	16	63.5 Å²	63.5	6%	0.063	33%	0.327	C	S	.	.	H	α-helix	trans	-64.4	-51.8	174.8	171.8	-93.3	0	0	0	110.3	I51 E54 G55 P56 R61 N62 Y170	I51-Y58 HydrophobicContact CD1-CE1 4.42Å; I51-Y58 HydrophobicContact CG1-CE1 4.33Å; E54-Y58 HydrophobicContact CB-CD1 3.58Å; E54-Y58 HydrophobicContact CB-CE1 4.19Å; E54-Y58 HydrophobicContact CB-CG 3.81Å; E54-Y58 HydrophobicContact CG-CD1 3.89Å; E54-Y58 HydrophobicContact CG-CD2 4.36Å; E54-Y58 HydrophobicContact CG-CE1 4.06Å; E54-Y58 HydrophobicContact CG-CG 4.05Å; G55-Y58 WeakPolarHBondContact O-CB 3.45Å; G55-Y58 PolarHBondContact O-N 2.96Å; P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 2.87Å; Y58-R61 PolarHBondContact O-N 3.46Å; Y58-N62 VanDerWaalsContact CE1-ND2 3.27Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.05Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.27Å; Y58-N62 WeakPolarHBondContact O-CB 3.39Å; Y58-N62 PolarHBondContact O-N 3Å; Y58-N62 PolarHBondContact O-ND2 3.49Å; Y58-N62 PolarHBondContact OH-ND2 3.19Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.42Å; Y58-Y170 PolarHBondContact OH-OH 3.03Å
59	W	98.4	Very high	97.5	Very high	40 Å²	40	64.8 Å²	64.8	15%	0.152	33%	0.332	C	S	.	.	H	α-helix	trans	-64.2	-43.4	-177.8	-62.8	112.5	0	0	0	112.5	V33 E44 P46 I51 E54 G55 P56 T63	V33-W59 HydrophobicContact CG1-CH2 4.09Å; V33-W59 HydrophobicContact CG1-CZ3 3.93Å; E44-W59 HydrophobicContact CB-CE3 4.18Å; E44-W59 HydrophobicContact CB-CZ3 4.42Å; E44-W59 HydrophobicContact CG-CE3 4.18Å; E44-W59 HydrophobicContact CG-CZ3 3.94Å; P46-W59 HydrophobicContact CB-CH2 3.71Å; P46-W59 HydrophobicContact CB-CZ2 4.06Å; P46-W59 HydrophobicContact CG-CH2 4.33Å; P46-W59 HydrophobicContact CG-CZ2 4.49Å; I51-W59 HydrophobicContact CB-CH2 4.46Å; I51-W59 HydrophobicContact CG1-CH2 3.86Å; I51-W59 HydrophobicContact CG1-CZ2 4.13Å; I51-W59 HydrophobicContact CG2-CH2 3.73Å; I51-W59 HydrophobicContact CG2-CZ2 4.07Å; I51-W59 WeakPolarHBondContact O-CZ2 3.27Å; E54-W59 HydrophobicContact CB-CZ2 4.27Å; E54-W59 PolarHBondContact O-NE1 3.45Å; E54-W59 VanDerWaalsContact O-NE1 3.07Å; G55-W59 VanDerWaalsContact O-CD1 3.22Å; P56-W59 PolarHBondContact O-N 3.42Å; W59-T63 WeakPolarHBondContact O-CB 3.12Å; W59-T63 PolarHBondContact O-N 2.88Å; W59-T63 PolarHBondContact O-OG1 3.08Å
60	D	98.4	Very high	97.6	Very high	106 Å²	106	60.7 Å²	60.7	57%	0.567	31%	0.307	S	S	*	.	H	α-helix	trans	-64.8	-48.2	177.6	-77.8	-19.8	0	0	0	110.9	P56 N62 T63 Q64	P56-D60 WeakPolarHBondContact O-CB 3.46Å; P56-D60 PolarHBondContact O-N 2.79Å; D60-N62 PolarHBondContact O-N 2.85Å; D60-T63 PolarHBondContact O-N 3.13Å; D60-Q64 WeakPolarHBondContact O-CG 3.45Å; D60-Q64 PolarHBondContact O-N 2.66Å
61	R	98.1	Very high	97.7	Very high	153 Å²	153	64.6 Å²	64.6	58%	0.577	33%	0.326	S	S	*	.	H	α-helix	trans	-58.7	-51.6	179.5	-178.9	-176	67.9	-170.3	-1.1	111.5	E57 Y58 T63 Q64 I65	E57-R61 WeakPolarHBondContact O-CB 3.36Å; E57-R61 PolarHBondContact O-N 3.32Å; Y58-R61 PolarHBondContact O-N 3.46Å; R61-T63 VanDerWaalsContact C-N 3.34Å; R61-T63 PolarHBondContact O-N 2.72Å; R61-Q64 PolarHBondContact O-N 3.35Å; R61-I65 HydrophobicContact CG-CD1 4.13Å; R61-I65 WeakPolarHBondContact O-CG1 3.07Å; R61-I65 PolarHBondContact O-N 3.18Å
62	N	98	Very high	97.7	Very high	17 Å²	17	68 Å²	68	9%	0.091	35%	0.347	C	S	.	.	H	α-helix	trans	-68.4	-36.1	-177.7	-67.9	-22.9	0	0	0	112	E44 Y58 D60 Q64 I65 Y66	E44-N62 WeakPolarHBondContact OE2-CB 3.13Å; E44-N62 VanDerWaalsContact OE2-CG 3.3Å; E44-N62 PolarHBondContact OE2-ND2 3.01Å; Y58-N62 VanDerWaalsContact CE1-ND2 3.27Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.05Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.27Å; Y58-N62 WeakPolarHBondContact O-CB 3.39Å; Y58-N62 PolarHBondContact O-N 3Å; Y58-N62 PolarHBondContact O-ND2 3.49Å; Y58-N62 PolarHBondContact OH-ND2 3.19Å; D60-N62 PolarHBondContact O-N 2.85Å; N62-Q64 VanDerWaalsContact C-N 3.27Å; N62-Q64 PolarHBondContact O-N 2.82Å; N62-I65 WeakPolarHBondContact O-CB 3.13Å; N62-I65 PolarHBondContact O-N 2.82Å; N62-I65 VanDerWaalsContact O-N 3.11Å; N62-Y66 HydrophobicContact CB-CE2 4.02Å; N62-Y66 WeakPolarHBondContact O-CD2 3.38Å; N62-Y66 PolarHBondContact O-N 3.38Å
63	T	98.6	Very high	97.8	Very high	11 Å²	11	62.2 Å²	62.2	7%	0.067	32%	0.32	C	S	.	.	H	α-helix	trans	-56.2	-42.9	171.8	-67.3	0	0	0	0	111.5	F35 R43 E44 W59 D60 R61 K67	F35-T63 HydrophobicContact CE2-CG2 4.49Å; R43-T63 HydrophobicContact CB-CG2 4.14Å; E44-T63 PolarHBondContact N-OG1 2.77Å; W59-T63 WeakPolarHBondContact O-CB 3.12Å; W59-T63 PolarHBondContact O-N 2.88Å; W59-T63 PolarHBondContact O-OG1 3.08Å; D60-T63 PolarHBondContact O-N 3.13Å; R61-T63 VanDerWaalsContact C-N 3.34Å; R61-T63 PolarHBondContact O-N 2.72Å; T63-K67 HydrophobicContact CG2-CD 4.25Å; T63-K67 WeakPolarHBondContact O-CG 3.02Å; T63-K67 PolarHBondContact O-N 3.07Å; T63-K67 VanDerWaalsContact O-N 3.08Å
64	Q	98.6	Very high	97.9	Very high	115 Å²	115	59.2 Å²	59.2	54%	0.537	30%	0.304	S	S	.	.	H	α-helix	trans	-67.1	-39.4	175.5	-63.2	-53	-36.6	0	0	112.4	D60 R61 N62 Y66 K67 A68	D60-Q64 WeakPolarHBondContact O-CG 3.45Å; D60-Q64 PolarHBondContact O-N 2.66Å; R61-Q64 PolarHBondContact O-N 3.35Å; N62-Q64 VanDerWaalsContact C-N 3.27Å; N62-Q64 PolarHBondContact O-N 2.82Å; Q64-Y66 PolarHBondContact O-N 2.66Å; Q64-K67 PolarHBondContact O-N 3.06Å; Q64-A68 PolarHBondContact O-N 2.63Å
65	I	97.9	Very high	98	Very high	79 Å²	79	64.1 Å²	64.1	41%	0.405	33%	0.327	S	S	.	.	H	α-helix	trans	-57.6	-48.2	175.5	-70.3	168.3	0	0	0	110.7	R61 N62 K67 A68 Q69	R61-I65 HydrophobicContact CG-CD1 4.13Å; R61-I65 WeakPolarHBondContact O-CG1 3.07Å; R61-I65 PolarHBondContact O-N 3.18Å; N62-I65 WeakPolarHBondContact O-CB 3.13Å; N62-I65 PolarHBondContact O-N 2.82Å; N62-I65 VanDerWaalsContact O-N 3.11Å; I65-K67 PolarHBondContact O-N 3.16Å; I65-A68 PolarHBondContact O-N 3.22Å; I65-Q69 WeakPolarHBondContact O-CB 3.39Å; I65-Q69 PolarHBondContact O-N 2.74Å
66	Y	98.4	Very high	98	Very high	6 Å²	6	64.6 Å²	64.6	2%	0.024	33%	0.325	C	S	.	.	H	α-helix	trans	-69.8	-32.6	179.7	-61.9	-55.7	0	0	0	113.4	Y6 Y8 F21 S23 F35 E44 N62 Q64 A68 Q69 A70	Y6-Y66 WeakPolarHBondContact CE1-OH 3.37Å; Y8-Y66 HydrophobicContact CE1-CD1 4.16Å; Y8-Y66 AromaticContact CE1-CE1 3.67Å; Y8-Y66 HydrophobicContact CE1-CE1 3.67Å; Y8-Y66 AromaticContact CZ-CE1 3.79Å; Y8-Y66 WeakPolarHBondContact OH-CE1 3.35Å; F21-Y66 HydrophobicContact CE1-CD1 4.09Å; F21-Y66 HydrophobicContact CE1-CG 4.38Å; F21-Y66 HydrophobicContact CZ-CD1 4.3Å; S23-Y66 WeakPolarHBondContact OG-CE1 3.48Å; F35-Y66 HydrophobicContact CB-CD2 3.78Å; F35-Y66 HydrophobicContact CB-CE2 4.34Å; F35-Y66 HydrophobicContact CB-CG 3.98Å; F35-Y66 HydrophobicContact CD1-CG 4.44Å; F35-Y66 AromaticContact CD2-CD2 3.97Å; F35-Y66 HydrophobicContact CD2-CD2 3.97Å; F35-Y66 HydrophobicContact CD2-CG 4.21Å; F35-Y66 AromaticContact CG-CD2 3.99Å; F35-Y66 HydrophobicContact CG-CD2 3.99Å; F35-Y66 AromaticContact CG-CG 3.96Å; F35-Y66 HydrophobicContact CG-CG 3.96Å; E44-Y66 HydrophobicContact CB-CD2 4.17Å; E44-Y66 HydrophobicContact CB-CE2 3.96Å; E44-Y66 VanDerWaalsContact CD-CE2 3.41Å; E44-Y66 HydrophobicContact CG-CD2 4.41Å; E44-Y66 HydrophobicContact CG-CE2 3.75Å; E44-Y66 WeakPolarHBondContact OE1-CE2 3.42Å; E44-Y66 PolarHBondContact OE1-OH 3.13Å; N62-Y66 HydrophobicContact CB-CE2 4.02Å; N62-Y66 WeakPolarHBondContact O-CD2 3.38Å; N62-Y66 PolarHBondContact O-N 3.38Å; Q64-Y66 PolarHBondContact O-N 2.66Å; Y66-A68 VanDerWaalsContact C-N 3.35Å; Y66-Q69 PolarHBondContact O-N 2.84Å; Y66-A70 WeakPolarHBondContact O-CB 3.12Å; Y66-A70 PolarHBondContact O-N 2.8Å
67	K	98.3	Very high	98.1	Very high	87 Å²	87	61 Å²	61	38%	0.378	30%	0.302	S	S	.	.	H	α-helix	trans	-63.5	-41.8	172	-76	176.7	179.5	176.1	0	111.6	F35 P42 T63 Q64 I65 Q71	F35-K67 HydrophobicContact CE2-CG 4.29Å; F35-K67 HydrophobicContact CZ-CG 4.06Å; P42-K67 WeakPolarHBondContact O-CE 3.36Å; P42-K67 PolarHBondContact O-NZ 3.11Å; T63-K67 HydrophobicContact CG2-CD 4.25Å; T63-K67 WeakPolarHBondContact O-CG 3.02Å; T63-K67 PolarHBondContact O-N 3.07Å; T63-K67 VanDerWaalsContact O-N 3.08Å; Q64-K67 PolarHBondContact O-N 3.06Å; I65-K67 PolarHBondContact O-N 3.16Å; K67-Q71 PolarHBondContact O-N 2.8Å
68	A	98.4	Very high	98	Very high	60 Å²	60	60.1 Å²	60.1	50%	0.496	29%	0.292	S	S	.	.	H	α-helix	trans	-65.3	-46.5	174.5	0	0	0	0	0	111.2	Q64 I65 Y66 A70 Q71 T72	Q64-A68 PolarHBondContact O-N 2.63Å; I65-A68 PolarHBondContact O-N 3.22Å; Y66-A68 VanDerWaalsContact C-N 3.35Å; A68-A70 VanDerWaalsContact C-N 3.31Å; A68-A70 PolarHBondContact O-N 3.16Å; A68-Q71 WeakPolarHBondContact O-CB 3.39Å; A68-Q71 PolarHBondContact O-N 3.18Å; A68-T72 PolarHBondContact O-N 2.86Å; A68-T72 PolarHBondContact O-OG1 3.03Å
69	Q	98.2	Very high	98	Very high	32 Å²	32	63.4 Å²	63.4	15%	0.15	31%	0.311	C	S	.	.	H	α-helix	trans	-59.8	-39.9	177.8	-173	66.9	58.2	0	0	112.3	Y8 F21 I65 Y66 Q71 T72 D73	Y8-Q69 HydrophobicContact CD2-CG 3.7Å; Y8-Q69 HydrophobicContact CE2-CG 3.61Å; F21-Q69 HydrophobicContact CE2-CB 4.34Å; F21-Q69 HydrophobicContact CE2-CG 3.68Å; F21-Q69 HydrophobicContact CZ-CB 4.07Å; F21-Q69 HydrophobicContact CZ-CG 3.73Å; I65-Q69 WeakPolarHBondContact O-CB 3.39Å; I65-Q69 PolarHBondContact O-N 2.74Å; Y66-Q69 PolarHBondContact O-N 2.84Å; Q69-Q71 PolarHBondContact O-N 3.36Å; Q69-T72 WeakPolarHBondContact O-CB 3.25Å; Q69-T72 PolarHBondContact O-N 3.13Å; Q69-T72 VanDerWaalsContact O-N 3.13Å; Q69-D73 PolarHBondContact NE2-OD1 3.04Å; Q69-D73 PolarHBondContact O-N 3.27Å
70	A	98.2	Very high	97.9	Very high	18 Å²	18	61.9 Å²	61.9	15%	0.149	31%	0.306	C	S	.	.	H	α-helix	trans	-59.1	-35.8	176	0	0	0	0	0	112.3	F21 Y66 A68 R74	F21-A70 HydrophobicContact CB-CB 3.64Å; F21-A70 HydrophobicContact CD1-CB 3.98Å; F21-A70 HydrophobicContact CD2-CB 4.41Å; F21-A70 HydrophobicContact CG-CB 3.76Å; Y66-A70 WeakPolarHBondContact O-CB 3.12Å; Y66-A70 PolarHBondContact O-N 2.8Å; A68-A70 VanDerWaalsContact C-N 3.31Å; A68-A70 PolarHBondContact O-N 3.16Å; A70-R74 WeakPolarHBondContact O-CB 3.42Å; A70-R74 PolarHBondContact O-N 3.03Å; A70-R74 VanDerWaalsContact O-N 3.15Å
71	Q	97.9	Very high	97.9	Very high	98 Å²	98	60 Å²	60	46%	0.458	29%	0.291	S	S	.	.	H	α-helix	trans	-72.3	-41.3	173.7	-62.6	-52.7	-49.2	0	0	111.9	K67 A68 Q69 D73 R74 E75	K67-Q71 PolarHBondContact O-N 2.8Å; A68-Q71 WeakPolarHBondContact O-CB 3.39Å; A68-Q71 PolarHBondContact O-N 3.18Å; Q69-Q71 PolarHBondContact O-N 3.36Å; Q71-D73 PolarHBondContact O-N 2.85Å; Q71-R74 WeakPolarHBondContact O-CB 3.29Å; Q71-R74 PolarHBondContact O-N 2.04Å; Q71-E75 PolarHBondContact O-N 2.66Å; Q71-E75 VanDerWaalsContact O-N 3.15Å
72	T	97.8	Very high	97.8	Very high	70 Å²	70	54.8 Å²	54.8	43%	0.429	29%	0.285	S	S	.	.	H	α-helix	trans	-58.6	-48	174.5	-58.9	0	0	0	0	111.4	A68 Q69 R74 E75 S76	A68-T72 PolarHBondContact O-N 2.86Å; A68-T72 PolarHBondContact O-OG1 3.03Å; Q69-T72 WeakPolarHBondContact O-CB 3.25Å; Q69-T72 PolarHBondContact O-N 3.13Å; Q69-T72 VanDerWaalsContact O-N 3.13Å; T72-R74 VanDerWaalsContact C-N 3.3Å; T72-R74 PolarHBondContact O-N 3.44Å; T72-E75 WeakPolarHBondContact O-CB 3.28Å; T72-E75 PolarHBondContact O-N 2.84Å; T72-E75 VanDerWaalsContact O-N 3.1Å; T72-S76 PolarHBondContact O-N 2.83Å; T72-S76 PolarHBondContact O-OG 2.86Å; T72-S76 VanDerWaalsContact O-OG 3.14Å
73	D	97.6	Very high	97.8	Very high	9 Å²	9	56.9 Å²	56.9	5%	0.048	29%	0.292	C	S	.	.	H	α-helix	trans	-67.4	-32.1	-178.5	-74.3	-0.3	0	0	0	112.3	A10 F21 Q69 Q71 E75 S76 L77 L94	A10-D73 HydrophobicContact CB-CB 3.6Å; F21-D73 HydrophobicContact CD2-CB 4.47Å; F21-D73 WeakPolarHBondContact CD2-OD2 3.5Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.48Å; Q69-D73 PolarHBondContact NE2-OD1 3.04Å; Q69-D73 PolarHBondContact O-N 3.27Å; Q71-D73 PolarHBondContact O-N 2.85Å; D73-E75 VanDerWaalsContact C-N 3.34Å; D73-S76 PolarHBondContact O-N 2.85Å; D73-L77 WeakPolarHBondContact O-CB 3.13Å; D73-L77 VanDerWaalsContact O-CG 3.3Å; D73-L77 WeakPolarHBondContact O-CG 3.11Å; D73-L77 PolarHBondContact O-N 3.46Å; D73-L94 HydrophobicContact CB-CD2 4.42Å
74	R	97.5	Very high	97.8	Very high	58 Å²	58	59.7 Å²	59.7	22%	0.219	30%	0.301	C	S	.	.	H	α-helix	trans	-59.9	-44.2	171	173.1	-168.9	-177.8	-162.8	2.9	111.5	E18 P19 A70 Q71 T72 R78	E18-R74 VanDerWaalsContact CD-NE 3.31Å; E18-R74 IonicContact OE1-CZ 3.5Å; E18-R74 IonicContact OE1-NE 2.66Å; E18-R74 IonicContact OE1-NH1 3.31Å; E18-R74 IonicContact OE1-NH2 2.82Å; E18-R74 PolarHBondContact OE1-NH2 2.73Å; E18-R74 WeakPolarHBondContact OE2-CD 3.36Å; E18-R74 IonicContact OE2-CZ 3.56Å; E18-R74 IonicContact OE2-NE 3.63Å; E18-R74 PolarHBondContact OE2-NE 3.04Å; E18-R74 IonicContact OE2-NH2 3.35Å; E18-R74 PolarHBondContact OE2-NH2 3.09Å; P19-R74 HydrophobicContact CG-CB 4.27Å; P19-R74 HydrophobicContact CG-CG 4.13Å; A70-R74 WeakPolarHBondContact O-CB 3.42Å; A70-R74 PolarHBondContact O-N 3.03Å; A70-R74 VanDerWaalsContact O-N 3.15Å; Q71-R74 WeakPolarHBondContact O-CB 3.29Å; Q71-R74 PolarHBondContact O-N 2.04Å; T72-R74 VanDerWaalsContact C-N 3.3Å; T72-R74 PolarHBondContact O-N 3.44Å; R74-R78 VanDerWaalsContact CZ-NH2 3.32Å; R74-R78 WeakPolarHBondContact O-CG 3.42Å; R74-R78 PolarHBondContact O-N 3.04Å
75	E	97.4	Very high	97.7	Very high	116 Å²	116	61.5 Å²	61.5	54%	0.542	32%	0.315	S	S	.	.	H	α-helix	trans	-68.7	-41.1	175.2	-68.4	-179.7	-179.5	0	0	111.7	Q71 T72 D73 L77 R78 N79	Q71-E75 PolarHBondContact O-N 2.66Å; Q71-E75 VanDerWaalsContact O-N 3.15Å; T72-E75 WeakPolarHBondContact O-CB 3.28Å; T72-E75 PolarHBondContact O-N 2.84Å; T72-E75 VanDerWaalsContact O-N 3.1Å; D73-E75 VanDerWaalsContact C-N 3.34Å; E75-L77 VanDerWaalsContact C-N 3.35Å; E75-L77 PolarHBondContact O-N 3.01Å; E75-R78 WeakPolarHBondContact O-CB 3.34Å; E75-R78 PolarHBondContact O-N 3.41Å; E75-R78 VanDerWaalsContact O-N 3.14Å; E75-N79 PolarHBondContact O-N 2.89Å; E75-N79 PolarHBondContact O-ND2 2.88Å
76	S	97.9	Very high	97.7	Very high	39 Å²	39	60.6 Å²	60.6	27%	0.273	31%	0.309	S	S	.	.	H	α-helix	trans	-59	-44	175.2	-61.9	0	0	0	0	111.9	T72 D73 R78 N79 L80	T72-S76 PolarHBondContact O-N 2.83Å; T72-S76 PolarHBondContact O-OG 2.86Å; T72-S76 VanDerWaalsContact O-OG 3.14Å; D73-S76 PolarHBondContact O-N 2.85Å; S76-R78 VanDerWaalsContact C-N 3.3Å; S76-R78 PolarHBondContact O-N 2.88Å; S76-N79 PolarHBondContact O-N 3.02Å; S76-L80 WeakPolarHBondContact O-CB 3.15Å; S76-L80 VanDerWaalsContact O-CG 3.24Å; S76-L80 WeakPolarHBondContact O-CG 3.24Å; S76-L80 PolarHBondContact O-N 3.07Å
77	L	98.2	Very high	97.5	Very high	9 Å²	9	64 Å²	64	5%	0.047	33%	0.333	C	S	.	.	H	α-helix	trans	-58.9	-39.3	175	-77.9	167.7	0	0	0	112.3	A10 P19 D73 E75 R81 H92 L94 Y117	A10-L77 HydrophobicContact CB-CD1 3.89Å; P19-L77 HydrophobicContact CB-CD1 3.66Å; P19-L77 HydrophobicContact CG-CD1 3.85Å; D73-L77 WeakPolarHBondContact O-CB 3.13Å; D73-L77 VanDerWaalsContact O-CG 3.3Å; D73-L77 WeakPolarHBondContact O-CG 3.11Å; D73-L77 PolarHBondContact O-N 3.46Å; E75-L77 VanDerWaalsContact C-N 3.35Å; E75-L77 PolarHBondContact O-N 3.01Å; L77-R81 WeakPolarHBondContact O-CB 3.38Å; L77-R81 PolarHBondContact O-N 2.68Å; L77-R81 VanDerWaalsContact O-N 3.11Å; L77-H92 HydrophobicContact CD2-CB 4.31Å; L77-L94 HydrophobicContact CD2-CB 3.71Å; L77-L94 HydrophobicContact CG-CB 4.14Å; L77-Y117 HydrophobicContact CD2-CE2 4.06Å
78	R	96.4	Very high	97.1	Very high	124 Å²	124	66.4 Å²	66.4	47%	0.468	35%	0.346	S	S	.	.	H	α-helix	trans	-66.4	-43.5	175.3	-69.9	173.6	179.1	161.8	-0.6	111.9	R74 E75 S76 G82	R74-R78 VanDerWaalsContact CZ-NH2 3.32Å; R74-R78 WeakPolarHBondContact O-CG 3.42Å; R74-R78 PolarHBondContact O-N 3.04Å; E75-R78 WeakPolarHBondContact O-CB 3.34Å; E75-R78 PolarHBondContact O-N 3.41Å; E75-R78 VanDerWaalsContact O-N 3.14Å; S76-R78 VanDerWaalsContact C-N 3.3Å; S76-R78 PolarHBondContact O-N 2.88Å; R78-G82 PolarHBondContact O-N 2.92Å
79	N	97.1	Very high	96.8	Very high	85 Å²	85	67.7 Å²	67.7	46%	0.455	36%	0.357	S	S	.	.	H	α-helix	trans	-64.9	-46.4	178.8	-71.5	-29.8	0	0	0	111.7	E75 S76 R81 G82 Y83	E75-N79 PolarHBondContact O-N 2.89Å; E75-N79 PolarHBondContact O-ND2 2.88Å; S76-N79 PolarHBondContact O-N 3.02Å; N79-R81 PolarHBondContact O-N 3.28Å; N79-G82 CarbonylContact O-C 3.51Å; N79-G82 WeakPolarHBondContact O-CA 3.49Å; N79-G82 PolarHBondContact O-N 3.23Å; N79-G82 VanDerWaalsContact O-N 3.08Å; N79-Y83 WeakPolarHBondContact O-CD1 2.85Å; N79-Y83 PolarHBondContact O-N 2.97Å
80	L	97.9	Very high	96.6	Very high	7 Å²	7	67.1 Å²	67.1	4%	0.037	36%	0.359	C	S	.	.	H	α-helix	trans	-60.5	-46.3	179.1	-72	165.9	0	0	0	111.2	S76 G82 Y83 Y84 L94 Y117 Y122	S76-L80 WeakPolarHBondContact O-CB 3.15Å; S76-L80 VanDerWaalsContact O-CG 3.24Å; S76-L80 WeakPolarHBondContact O-CG 3.24Å; S76-L80 PolarHBondContact O-N 3.07Å; L80-G82 PolarHBondContact O-N 2.78Å; L80-Y83 PolarHBondContact O-N 3.49Å; L80-Y84 HydrophobicContact CD2-CE2 4.26Å; L80-Y84 VanDerWaalsContact O-CD2 3.26Å; L80-Y84 WeakPolarHBondContact O-CD2 3.36Å; L80-Y84 PolarHBondContact O-N 2.95Å; L80-L94 HydrophobicContact CD1-CD1 3.78Å; L80-L94 HydrophobicContact CD1-CD2 4.13Å; L80-L94 HydrophobicContact CD1-CG 4.38Å; L80-Y117 HydrophobicContact CB-CD1 4.38Å; L80-Y117 HydrophobicContact CB-CD2 4.21Å; L80-Y117 HydrophobicContact CB-CE1 4Å; L80-Y117 HydrophobicContact CB-CE2 3.83Å; L80-Y117 HydrophobicContact CB-CG 4.47Å; L80-Y117 HydrophobicContact CD1-CD2 3.62Å; L80-Y117 HydrophobicContact CD1-CE2 3.91Å; L80-Y117 HydrophobicContact CD1-CG 4.08Å; L80-Y117 HydrophobicContact CG-CD2 4.42Å; L80-Y117 HydrophobicContact CG-CE2 4.47Å; L80-Y122 HydrophobicContact CD2-CD1 4.37Å; L80-Y122 HydrophobicContact CD2-CD2 4.1Å; L80-Y122 HydrophobicContact CD2-CE1 3.8Å; L80-Y122 HydrophobicContact CD2-CE2 3.45Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.45Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.42Å
81	R	96.9	Very high	96.5	Very high	67 Å²	67	70 Å²	70	25%	0.253	38%	0.379	S	S	.	.	H	α-helix	trans	-53.1	-41.3	173.7	-172.2	-174.9	66.2	165.7	12.1	111.8	L77 N79 N85 Q86 E88	L77-R81 WeakPolarHBondContact O-CB 3.38Å; L77-R81 PolarHBondContact O-N 2.68Å; L77-R81 VanDerWaalsContact O-N 3.11Å; N79-R81 PolarHBondContact O-N 3.28Å; R81-N85 PolarHBondContact O-N 2.83Å; R81-N85 VanDerWaalsContact O-N 3.14Å; R81-Q86 HydrophobicContact CG-CB 3.81Å; R81-Q86 WeakPolarHBondContact CG-O 3Å; R81-Q86 PolarHBondContact O-N 3.42Å; R81-E88 IonicContact CZ-OE1 2.72Å; R81-E88 VanDerWaalsContact CZ-OE1 3.31Å; R81-E88 VanDerWaalsContact NH1-CA 3.35Å; R81-E88 VanDerWaalsContact NH1-CB 3.35Å; R81-E88 VanDerWaalsContact NH1-CG 3.27Å; R81-E88 IonicContact NH1-OE1 2.66Å; R81-E88 PolarHBondContact NH1-OE1 3.35Å; R81-E88 VanDerWaalsContact NH1-OE1 3.13Å; R81-E88 IonicContact NH2-OE1 3.82Å; R81-E88 PolarHBondContact NH2-OE1 3.32Å
82	G	97	Very high	96.5	Very high	44 Å²	44	66.1 Å²	66.1	45%	0.454	36%	0.361	S	S	.	.	H	α-helix	trans	-66.4	-44.6	174.8	0	0	0	0	0	113.3	R78 N79 L80 Y84 N85	R78-G82 PolarHBondContact O-N 2.92Å; N79-G82 CarbonylContact O-C 3.51Å; N79-G82 WeakPolarHBondContact O-CA 3.49Å; N79-G82 PolarHBondContact O-N 3.23Å; N79-G82 VanDerWaalsContact O-N 3.08Å; L80-G82 PolarHBondContact O-N 2.78Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 3.32Å; G82-N85 PolarHBondContact O-N 3Å; G82-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-OD1 3.49Å
83	Y	97.9	Very high	96.5	Very high	60 Å²	60	64.7 Å²	64.7	24%	0.235	35%	0.352	C	S	.	.	H	α-helix	trans	-62.1	-34.7	179.2	-64.4	-10.5	0	0	0	112.6	N79 L80 I141 K145	N79-Y83 WeakPolarHBondContact O-CD1 2.85Å; N79-Y83 PolarHBondContact O-N 2.97Å; L80-Y83 PolarHBondContact O-N 3.49Å; Y83-I141 HydrophobicContact CD1-CD1 4.22Å; Y83-I141 HydrophobicContact CE1-CG2 4.23Å; Y83-I141 HydrophobicContact CE2-CB 4.27Å; Y83-I141 HydrophobicContact CE2-CG2 4.05Å; Y83-I141 HydrophobicContact CG-CD1 4.24Å; Y83-K145 PolarHBondContact OH-NZ 3.37Å
84	Y	97.8	Very high	96.6	Very high	70 Å²	70	64.4 Å²	64.4	28%	0.275	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	4.4	178.2	-69.1	-74.1	0	0	0	114.1	L80 G82 Q86 Y117 Y122 D136 A138	L80-Y84 HydrophobicContact CD2-CE2 4.26Å; L80-Y84 VanDerWaalsContact O-CD2 3.26Å; L80-Y84 WeakPolarHBondContact O-CD2 3.36Å; L80-Y84 PolarHBondContact O-N 2.95Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 3.32Å; Y84-Q86 PolarHBondContact O-N 3.23Å; Y84-Y117 AromaticContact CD2-CD1 3.69Å; Y84-Y117 HydrophobicContact CD2-CD1 3.69Å; Y84-Y117 AromaticContact CD2-CE1 3.51Å; Y84-Y117 HydrophobicContact CD2-CE1 3.51Å; Y84-Y117 AromaticContact CE2-CD1 3.5Å; Y84-Y117 HydrophobicContact CE2-CD1 3.5Å; Y84-Y117 AromaticContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Y84-Y122 HydrophobicContact CE2-CD2 4.31Å; Y84-Y122 AromaticContact CE2-CE2 3.98Å; Y84-Y122 HydrophobicContact CE2-CE2 3.98Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.29Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.21Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.27Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.24Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 3.4Å; Y84-D136 PolarHBondContact OH-OD2 3.36Å; Y84-A138 HydrophobicContact CD1-CB 4.25Å; Y84-A138 HydrophobicContact CD2-CB 4.46Å; Y84-A138 HydrophobicContact CE1-CB 3.69Å; Y84-A138 HydrophobicContact CE2-CB 3.92Å
85	N	96.9	Very high	96.6	Very high	154 Å²	154	65.4 Å²	65.4	82%	0.824	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	39.3	-177.2	-59.2	-57.3	0	0	0	113.5	R81 G82	R81-N85 PolarHBondContact O-N 2.83Å; R81-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-N 3Å; G82-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-OD1 3.49Å
86	Q	97.1	Very high	96.7	Very high	59 Å²	59	62.2 Å²	62.2	28%	0.276	34%	0.34	S	S	.	.			trans	-86.8	152	-176.1	-70.9	166.4	-31.8	0	0	112	R81 Y84 H92 Y117 D118	R81-Q86 HydrophobicContact CG-CB 3.81Å; R81-Q86 WeakPolarHBondContact CG-O 3Å; R81-Q86 PolarHBondContact O-N 3.42Å; Y84-Q86 PolarHBondContact O-N 3.23Å; Q86-H92 PolarHBondContact NE2-CE1 3.15Å; Q86-H92 PolarHBondContact OE1-CE1 3.45Å; Q86-Y117 PolarHBondContact OE1-OH 2.74Å; Q86-D118 PolarHBondContact NE2-OD2 3.46Å
87	S	95	Very high	96.7	Very high	77 Å²	77	61.6 Å²	61.6	54%	0.538	33%	0.334	S	S	.	.			trans	-70.1	155.7	-179.1	78.1	0	0	0	0	113.1	A89 G90	S87-A89 PolarHBondContact O-N 2.91Å; S87-G90 PolarHBondContact O-N 3.07Å
88	E	91.2	Very high	96.8	Very high	138 Å²	138	62 Å²	62	65%	0.645	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-20.5	176.9	-53.1	-148	119.6	0	0	114.6	P14 R81 G90	P14-E88 WeakPolarHBondContact CB-O 3.23Å; P14-E88 VanDerWaalsContact CG-O 3.27Å; P14-E88 WeakPolarHBondContact CG-O 3.42Å; R81-E88 IonicContact CZ-OE1 2.72Å; R81-E88 VanDerWaalsContact CZ-OE1 3.31Å; R81-E88 VanDerWaalsContact NH1-CA 3.35Å; R81-E88 VanDerWaalsContact NH1-CB 3.35Å; R81-E88 VanDerWaalsContact NH1-CG 3.27Å; R81-E88 IonicContact NH1-OE1 2.66Å; R81-E88 PolarHBondContact NH1-OE1 3.35Å; R81-E88 VanDerWaalsContact NH1-OE1 3.13Å; R81-E88 IonicContact NH2-OE1 3.82Å; R81-E88 PolarHBondContact NH2-OE1 3.32Å; E88-G90 VanDerWaalsContact C-N 3.29Å
89	A	91.6	Very high	96.9	Very high	87 Å²	87	56 Å²	56	72%	0.719	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-12.8	-179.2	0	0	0	0	0	113.1	S87	S87-A89 PolarHBondContact O-N 2.91Å
90	G	92.4	Very high	97	Very high	20 Å²	20	52 Å²	52	21%	0.206	29%	0.291	C	S	.	.			trans	-74.9	134	179.8	0	0	0	0	0	112.8	P14 S87 E88 H92	P14-G90 WeakPolarHBondContact CG-O 3.45Å; S87-G90 PolarHBondContact O-N 3.07Å; E88-G90 VanDerWaalsContact C-N 3.29Å; G90-H92 PolarHBondContact O-CD2 2.9Å; G90-H92 VanDerWaalsContact O-CD2 3.23Å
91	S	96.3	Very high	97	Very high	80 Å²	80	53 Å²	53	56%	0.559	30%	0.296	S	S	*	.			trans	-85.3	133.1	164.9	-179	0	0	0	0	108.8	S12	S12-S91 WeakPolarHBondContact O-CB 3.2Å; S12-S91 PolarHBondContact O-OG 3.28Å
92	H	98.3	Very high	97	Very high	16 Å²	16	50 Å²	50	7%	0.074	29%	0.285	C	S	.	.			trans	-132.6	149.6	-174.2	-63.3	-73.1	0	0	0	110.4	M11 S12 L77 Q86 G90 Y117 D118	M11-H92 WeakPolarHBondContact CA-O 3.47Å; S12-H92 PolarHBondContact N-O 3.44Å; S12-H92 PolarHBondContact OG-N 3.06Å; S12-H92 PolarHBondContact OG-O 3.42Å; L77-H92 HydrophobicContact CD2-CB 4.31Å; Q86-H92 PolarHBondContact NE2-CE1 3.15Å; Q86-H92 PolarHBondContact OE1-CE1 3.45Å; G90-H92 PolarHBondContact O-CD2 2.9Å; G90-H92 VanDerWaalsContact O-CD2 3.23Å; H92-Y117 HydrophobicContact CB-CE2 3.81Å; H92-Y117 WeakPolarHBondContact CB-OH 3.17Å; H92-Y117 AromaticContact CG-CZ 4Å; H92-Y117 VanDerWaalsContact CG-OH 3.23Å; H92-Y117 AromaticContact ND1-CZ 3.96Å; H92-Y117 PolarHBondContact ND1-OH 2.84Å; H92-D118 WeakPolarHBondContact CA-OD1 3.43Å; H92-D118 WeakPolarHBondContact CB-OD1 3.43Å; H92-D118 IonicContact CE1-OD2 3.2Å; H92-D118 IonicContact CG-OD1 3.59Å; H92-D118 IonicContact CG-OD2 2.62Å; H92-D118 IonicContact ND1-OD1 2.61Å; H92-D118 IonicContact ND1-OD2 3.22Å; H92-D118 PolarHBondContact ND1-OD2 2.94Å
93	T	98.6	Very high	97.1	Very high	39 Å²	39	48.3 Å²	48.3	24%	0.239	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127	-179	-53.8	0	0	0	0	110.5	T9 A10 M11 Q95 Y117 D118	T9-T93 HydrophobicContact CG2-CG2 3.84Å; A10-T93 WeakPolarHBondContact O-CA 3.29Å; M11-T93 HydrophobicContact CG-CG2 3.95Å; T93-Q95 HydrophobicContact CG2-CG 3.87Å; T93-Y117 WeakPolarHBondContact O-CA 3.28Å; T93-Y117 WeakPolarHBondContact O-CD2 3.27Å; T93-D118 PolarHBondContact N-OD1 3.08Å; T93-D118 PolarHBondContact O-N 3.29Å
94	L	98.8	Very high	96.9	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.2	168.5	175.2	61	0	0	0	108.2	T9 A10 D73 L77 L80 L115 A116	T9-L94 WeakPolarHBondContact CA-O 3.4Å; A10-L94 HydrophobicContact CB-CB 4.46Å; A10-L94 PolarHBondContact N-O 2.81Å; A10-L94 PolarHBondContact O-N 3.29Å; D73-L94 HydrophobicContact CB-CD2 4.42Å; L77-L94 HydrophobicContact CD2-CB 3.71Å; L77-L94 HydrophobicContact CG-CB 4.14Å; L80-L94 HydrophobicContact CD1-CD1 3.78Å; L80-L94 HydrophobicContact CD1-CD2 4.13Å; L80-L94 HydrophobicContact CD1-CG 4.38Å; L94-L115 HydrophobicContact CD1-CD2 4.43Å; L94-A116 WeakPolarHBondContact CD1-O 3.3Å
95	Q	98.8	Very high	96.7	Very high	78 Å²	78	53.3 Å²	53.3	36%	0.364	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	143.3	177	-58.9	177.5	-83.6	0	0	109.6	Y8 T9 T93 L115 A116	Y8-Q95 VanDerWaalsContact O-CA 3.28Å; Y8-Q95 WeakPolarHBondContact O-CA 3.14Å; T9-Q95 HydrophobicContact CG2-CG 4.26Å; T93-Q95 HydrophobicContact CG2-CG 3.87Å; Q95-L115 CarbonylContact O-C 3.53Å; Q95-L115 VanDerWaalsContact O-CA 3.24Å; Q95-L115 WeakPolarHBondContact O-CA 3.39Å; Q95-A116 HydrophobicContact CB-CB 4.38Å; Q95-A116 PolarHBondContact N-O 3.49Å; Q95-A116 PolarHBondContact O-N 2.94Å
96	R	98.7	Very high	96.5	Very high	49 Å²	49	46.9 Å²	46.9	19%	0.185	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.3	171.5	-174.9	-177.7	-176.4	-168.4	-2.1	109	F7 Y8 F98 N113 Q114 L115 D155	F7-R96 WeakPolarHBondContact CA-O 3.38Å; Y8-R96 PolarHBondContact N-O 2.84Å; Y8-R96 PolarHBondContact O-N 2.84Å; R96-F98 HydrophobicContact CG-CD1 4.11Å; R96-N113 PolarHBondContact NE-OD1 3.31Å; R96-N113 PolarHBondContact NH2-ND2 2.89Å; R96-N113 PolarHBondContact NH2-OD1 2.93Å; R96-Q114 CarbonylContact C-O 3.44Å; R96-Q114 VanDerWaalsContact CA-O 3.28Å; R96-Q114 WeakPolarHBondContact CA-O 3.17Å; R96-L115 HydrophobicContact CB-CG 4.25Å; R96-L115 HydrophobicContact CG-CD1 3.91Å; R96-L115 HydrophobicContact CG-CG 4.12Å; R96-D155 IonicContact NH2-OD1 3.98Å; R96-D155 PolarHBondContact NH2-OD1 2.86Å
97	M	98.7	Very high	96.4	Very high	27 Å²	27	52.3 Å²	52.3	13%	0.133	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.7	168.4	-178	-78.8	-68	0	0	108.1	R5 Y6 F7 H112 N113 Q114	R5-M97 VanDerWaalsContact CD-SD 3.54Å; Y6-M97 WeakPolarHBondContact O-CA 3.49Å; F7-M97 HydrophobicContact CD1-CB 4.01Å; F7-M97 HydrophobicContact CD1-CG 3.74Å; F7-M97 HydrophobicContact CE1-CB 4.13Å; F7-M97 HydrophobicContact CE1-CG 3.42Å; F7-M97 VanDerWaalsContact CE1-CG 3.42Å; F7-M97 HydrophobicContact CZ-CG 4.07Å; M97-H112 HydrophobicContact CE-CB 4.05Å; M97-H112 HydrophobicContact SD-CB 3.95Å; M97-N113 CarbonylContact O-C 3.59Å; M97-N113 WeakPolarHBondContact O-CA 3.43Å; M97-Q114 HydrophobicContact CE-CG 4.32Å; M97-Q114 PolarHBondContact N-O 2.8Å; M97-Q114 PolarHBondContact O-N 3.45Å
98	F	98.8	Very high	96.6	Very high	16 Å²	16	51.2 Å²	51.2	7%	0.07	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	158.4	174.8	68.1	-78.9	0	0	0	110.8	Y6 Y8 R96 H112 N113 Y158	Y6-F98 VanDerWaalsContact CB-CE1 3.48Å; Y6-F98 VanDerWaalsContact CB-CZ 3.42Å; Y6-F98 AromaticContact CD2-CE2 3.89Å; Y6-F98 HydrophobicContact CD2-CE2 3.89Å; Y6-F98 AromaticContact CD2-CZ 3.98Å; Y6-F98 HydrophobicContact CD2-CZ 3.98Å; Y6-F98 HydrophobicContact CG-CE1 4.38Å; Y6-F98 HydrophobicContact CG-CE2 4.22Å; Y6-F98 AromaticContact CG-CZ 3.83Å; Y6-F98 HydrophobicContact CG-CZ 3.83Å; Y6-F98 PolarHBondContact N-O 2.79Å; Y6-F98 PolarHBondContact O-N 3.49Å; Y6-F98 VanDerWaalsContact O-N 3.13Å; Y8-F98 HydrophobicContact CD1-CE1 4.14Å; Y8-F98 HydrophobicContact CD2-CE1 4.03Å; Y8-F98 AromaticContact CE1-CE1 3.63Å; Y8-F98 HydrophobicContact CE1-CE1 3.63Å; Y8-F98 AromaticContact CE1-CZ 3.94Å; Y8-F98 HydrophobicContact CE1-CZ 3.94Å; Y8-F98 AromaticContact CE2-CE1 3.54Å; Y8-F98 HydrophobicContact CE2-CE1 3.54Å; Y8-F98 HydrophobicContact CE2-CZ 4.01Å; Y8-F98 HydrophobicContact CG-CE1 4.32Å; Y8-F98 AromaticContact CZ-CE1 3.34Å; Y8-F98 AromaticContact CZ-CZ 3.49Å; Y8-F98 VanDerWaalsContact CZ-CZ 3.49Å; Y8-F98 VanDerWaalsContact OH-CZ 3.28Å; Y8-F98 WeakPolarHBondContact OH-CZ 3.33Å; R96-F98 HydrophobicContact CG-CD1 4.11Å; F98-H112 CarbonylContact C-O 3.55Å; F98-H112 WeakPolarHBondContact CA-O 3.48Å; F98-H112 VanDerWaalsContact CB-O 3.23Å; F98-H112 WeakPolarHBondContact CB-O 3.17Å; F98-N113 HydrophobicContact CB-CB 4.17Å; F98-Y158 AromaticContact CD2-CE1 3.79Å; F98-Y158 HydrophobicContact CD2-CE1 3.79Å; F98-Y158 AromaticContact CE2-CE1 3.88Å; F98-Y158 HydrophobicContact CE2-CE1 3.88Å
99	G	98.7	Very high	96.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.7	-175.5	-175.9	0	0	0	0	0	113.4	M4 H112 L159	M4-G99 CarbonylContact O-C 3.56Å; M4-G99 WeakPolarHBondContact O-CA 3.44Å; G99-H112 PolarHBondContact N-O 2.82Å; G99-H112 PolarHBondContact O-N 3.13Å; G99-L159 WeakPolarHBondContact O-CD2 3.48Å
100	C	98.8	Very high	97.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	146.6	-174.6	51.5	0	0	0	0	111.2	S3 M4 L108 R110 C163	S3-C100 WeakPolarHBondContact CA-O 3.35Å; M4-C100 PolarHBondContact N-O 3.24Å; M4-C100 PolarHBondContact O-N 2.84Å; C100-L108 HydrophobicContact CB-CD1 3.58Å; C100-R110 CarbonylContact C-O 3.58Å; C100-R110 WeakPolarHBondContact CA-O 3.18Å; C100-C163 HydrophobicContact CB-CB 3.94Å; C100-C163 WeakPolarHBondContact CB-SG 3.49Å; C100-C163 PolarHBondContact N-SG 2.87Å; C100-C163 WeakPolarHBondContact SG-CB 3.49Å; C100-C163 PolarHBondContact SG-O 2.88Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.11Å
101	D	98.6	Very high	97.5	Very high	29 Å²	29	50 Å²	50	16%	0.155	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.6	171.9	-51.1	-29.4	0	0	0	108.5	H2 S3 R5 L109 R110 H112	H2-D101 CarbonylContact O-C 3.57Å; H2-D101 WeakPolarHBondContact O-CA 3.49Å; S3-D101 WeakPolarHBondContact CB-OD1 3.28Å; R5-D101 IonicContact CZ-OD1 3.71Å; R5-D101 IonicContact NE-OD1 3.53Å; R5-D101 IonicContact NH2-OD1 2.74Å; R5-D101 PolarHBondContact NH2-OD1 3Å; R5-D101 IonicContact NH2-OD2 3.7Å; R5-D101 PolarHBondContact NH2-OD2 3.47Å; D101-L109 WeakPolarHBondContact O-CB 3.23Å; D101-L109 PolarHBondContact O-N 3.23Å; D101-R110 HydrophobicContact CB-CB 4.37Å; D101-R110 PolarHBondContact N-O 2.84Å; D101-R110 PolarHBondContact O-N 2.86Å; D101-H112 IonicContact OD1-CD2 3.75Å; D101-H112 IonicContact OD1-NE2 3.63Å; D101-H112 IonicContact OD2-CD2 3.08Å; D101-H112 IonicContact OD2-CE1 3.6Å; D101-H112 IonicContact OD2-NE2 2.72Å; D101-H112 PolarHBondContact OD2-NE2 3.2Å
102	L	98.3	Very high	97.6	Very high	4 Å²	4	47 Å²	47	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	136.1	174.8	-56.6	-177	0	0	0	111.2	S1 H2 R107 V164 L167 R168	S1-L102 WeakPolarHBondContact CA-O 3.29Å; S1-L102 VanDerWaalsContact CB-O 3.29Å; S1-L102 WeakPolarHBondContact CB-O 3.31Å; H2-L102 PolarHBondContact N-O 3.49Å; H2-L102 VanDerWaalsContact N-O 3.11Å; H2-L102 PolarHBondContact O-N 2.82Å; L102-R107 VanDerWaalsContact CA-O 3.28Å; L102-R107 WeakPolarHBondContact CA-O 3.24Å; L102-V164 HydrophobicContact CD1-CG1 4.42Å; L102-V164 HydrophobicContact CD2-CB 4.17Å; L102-V164 HydrophobicContact CD2-CG1 3.83Å; L102-V164 HydrophobicContact CD2-CG2 3.73Å; L102-L167 HydrophobicContact CB-CD2 4.46Å; L102-L167 HydrophobicContact CD1-CB 4.22Å; L102-L167 HydrophobicContact CD1-CD2 3.7Å; L102-L167 HydrophobicContact CD1-CG 3.79Å; L102-L167 HydrophobicContact CG-CD2 3.6Å; L102-L167 HydrophobicContact CG-CG 4.28Å; L102-R168 HydrophobicContact CD1-CG 4.01Å
103	G	97.2	Very high	97.6	Very high	8 Å²	8	46.3 Å²	46.3	8%	0.082	24%	0.235	C	C	.	.			trans	-67.1	172.9	170	0	0	0	0	0	112.6	D105 G106 R107	G103-D105 PolarHBondContact O-N 2.87Å; G103-G106 PolarHBondContact O-N 3.17Å; G103-R107 PolarHBondContact N-O 2.89Å
104	P	94.1	Very high	97.6	Very high	123 Å²	123	48.1 Å²	48.1	80%	0.799	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.1	175.2	-23.1	34.3	0	0	0	114	G106	P104-G106 PolarHBondContact O-N 2.88Å
105	D	93.6	Very high	97.6	Very high	111 Å²	111	49 Å²	49	59%	0.594	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	1.9	174.8	67.3	-14.3	0	0	0	113.3	G103 R107	G103-D105 PolarHBondContact O-N 2.87Å; D105-R107 HydrophobicContact CB-CG 4.49Å; D105-R107 PolarHBondContact O-N 3.16Å; D105-R107 PolarHBondContact OD1-N 3.4Å; D105-R107 WeakPolarHBondContact OD2-CD 3.4Å; D105-R107 VanDerWaalsContact OD2-CG 3.27Å; D105-R107 WeakPolarHBondContact OD2-CG 3.28Å
106	G	92.3	Very high	97.6	Very high	20 Å²	20	46.2 Å²	46.2	21%	0.206	24%	0.235	C	C	.	.	S	Bend	trans	72.1	8.6	-178.9	0	0	0	0	0	114.2	G103 P104 R168	G103-G106 PolarHBondContact O-N 3.17Å; P104-G106 PolarHBondContact O-N 2.88Å; G106-R168 VanDerWaalsContact O-CZ 3.32Å; G106-R168 PolarHBondContact O-NE 3.39Å; G106-R168 VanDerWaalsContact O-NE 3.09Å; G106-R168 PolarHBondContact O-NH2 3.38Å
107	R	96.1	Very high	97.6	Very high	172 Å²	172	44.3 Å²	44.3	65%	0.649	23%	0.228	S	C	*	.	S	Bend	trans	-87.1	155.8	176.5	-58.5	-177.4	97.5	106.1	0.4	110.7	L102 G103 D105 L109	L102-R107 VanDerWaalsContact CA-O 3.28Å; L102-R107 WeakPolarHBondContact CA-O 3.24Å; G103-R107 PolarHBondContact N-O 2.89Å; D105-R107 HydrophobicContact CB-CG 4.49Å; D105-R107 PolarHBondContact O-N 3.16Å; D105-R107 PolarHBondContact OD1-N 3.4Å; D105-R107 WeakPolarHBondContact OD2-CD 3.4Å; D105-R107 VanDerWaalsContact OD2-CG 3.27Å; D105-R107 WeakPolarHBondContact OD2-CG 3.28Å; R107-L109 PolarHBondContact O-N 2.84Å; R107-L109 VanDerWaalsContact O-N 3.16Å
108	L	98.1	Very high	97.6	Very high	55 Å²	55	46 Å²	46	29%	0.288	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	120.3	174.6	-176.9	68.5	0	0	0	109.5	C100 R110 L129 E160 V164	C100-L108 HydrophobicContact CB-CD1 3.58Å; L108-R110 WeakPolarHBondContact CD1-O 3.39Å; L108-L129 HydrophobicContact CD2-CD1 4.27Å; L108-E160 HydrophobicContact CD2-CB 4.44Å; L108-E160 HydrophobicContact CD2-CG 3.69Å; L108-V164 HydrophobicContact CB-CG2 4Å; L108-V164 HydrophobicContact CD1-CG2 3.98Å; L108-V164 HydrophobicContact CG-CG2 4.49Å
109	L	97.9	Very high	97.5	Very high	124 Å²	124	48.1 Å²	48.1	65%	0.649	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	-43	172.1	179.7	63.6	0	0	0	110.5	D101 R107	D101-L109 WeakPolarHBondContact O-CB 3.23Å; D101-L109 PolarHBondContact O-N 3.23Å; R107-L109 PolarHBondContact O-N 2.84Å; R107-L109 VanDerWaalsContact O-N 3.16Å
110	R	97.8	Very high	97.5	Very high	91 Å²	91	55.8 Å²	55.8	34%	0.343	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	138	-177.6	-173.4	173.7	-179.1	124.6	8.1	111.6	C100 D101 L108 H112 E127	C100-R110 CarbonylContact C-O 3.58Å; C100-R110 WeakPolarHBondContact CA-O 3.18Å; D101-R110 HydrophobicContact CB-CB 4.37Å; D101-R110 PolarHBondContact N-O 2.84Å; D101-R110 PolarHBondContact O-N 2.86Å; L108-R110 WeakPolarHBondContact CD1-O 3.39Å; R110-H112 WeakPolarHBondContact CD-CE1 3.39Å; R110-H112 PolarHBondContact NE-CE1 3.39Å; R110-E127 VanDerWaalsContact CZ-CD 3.48Å; R110-E127 VanDerWaalsContact CZ-CG 3.49Å; R110-E127 IonicContact CZ-OE1 4Å; R110-E127 IonicContact NH1-OE1 3.41Å; R110-E127 PolarHBondContact NH1-OE1 2.75Å; R110-E127 IonicContact NH1-OE2 3.3Å; R110-E127 IonicContact NH2-OE1 3.79Å; R110-E127 PolarHBondContact NH2-OE1 2.89Å
111	G	98.5	Very high	97.5	Very high	5 Å²	5	62.1 Å²	62.1	5%	0.052	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	150.6	167.2	0	0	0	0	0	111.5
112	H	98.5	Very high	97.5	Very high	16 Å²	16	61 Å²	61	7%	0.074	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	136.8	-179	-57.2	-93.7	0	0	0	110.3	R5 M97 F98 G99 D101 R110	R5-H112 PolarHBondContact NH2-CE1 3.29Å; R5-H112 PolarHBondContact NH2-NE2 2.83Å; M97-H112 HydrophobicContact CE-CB 4.05Å; M97-H112 HydrophobicContact SD-CB 3.95Å; F98-H112 CarbonylContact C-O 3.55Å; F98-H112 WeakPolarHBondContact CA-O 3.48Å; F98-H112 VanDerWaalsContact CB-O 3.23Å; F98-H112 WeakPolarHBondContact CB-O 3.17Å; G99-H112 PolarHBondContact N-O 2.82Å; G99-H112 PolarHBondContact O-N 3.13Å; D101-H112 IonicContact OD1-CD2 3.75Å; D101-H112 IonicContact OD1-NE2 3.63Å; D101-H112 IonicContact OD2-CD2 3.08Å; D101-H112 IonicContact OD2-CE1 3.6Å; D101-H112 IonicContact OD2-NE2 2.72Å; D101-H112 PolarHBondContact OD2-NE2 3.2Å; R110-H112 WeakPolarHBondContact CD-CE1 3.39Å; R110-H112 PolarHBondContact NE-CE1 3.39Å
113	N	98.6	Very high	97.5	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.011	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	110.9	161.7	-177.7	9.6	0	0	0	108.7	R96 M97 F98 L125 D155	R96-N113 PolarHBondContact NE-OD1 3.31Å; R96-N113 PolarHBondContact NH2-ND2 2.89Å; R96-N113 PolarHBondContact NH2-OD1 2.93Å; M97-N113 CarbonylContact O-C 3.59Å; M97-N113 WeakPolarHBondContact O-CA 3.43Å; F98-N113 HydrophobicContact CB-CB 4.17Å; N113-L125 HydrophobicContact CB-CB 4.01Å; N113-L125 HydrophobicContact CB-CD2 4.23Å; N113-L125 WeakPolarHBondContact O-CB 3.49Å; N113-L125 PolarHBondContact O-N 3.35Å; N113-D155 PolarHBondContact ND2-OD1 3.25Å; N113-D155 PolarHBondContact ND2-OD2 3.22Å
114	Q	98.6	Very high	97.6	Very high	77 Å²	77	61.7 Å²	61.7	36%	0.36	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	136.9	-173.3	-58.6	-179.3	-19.6	0	0	110.1	R96 M97 A124	R96-Q114 CarbonylContact C-O 3.44Å; R96-Q114 VanDerWaalsContact CA-O 3.28Å; R96-Q114 WeakPolarHBondContact CA-O 3.17Å; M97-Q114 HydrophobicContact CE-CG 4.32Å; M97-Q114 PolarHBondContact N-O 2.8Å; M97-Q114 PolarHBondContact O-N 3.45Å; Q114-A124 HydrophobicContact CB-CB 4.4Å; Q114-A124 HydrophobicContact CG-CB 3.84Å
115	L	98.8	Very high	97.8	Very high	23 Å²	23	56.3 Å²	56.3	12%	0.12	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.5	177.3	-73.4	72.1	0	0	0	109.9	L94 Q95 R96 Y122 I123 W146	L94-L115 HydrophobicContact CD1-CD2 4.43Å; Q95-L115 CarbonylContact O-C 3.53Å; Q95-L115 VanDerWaalsContact O-CA 3.24Å; Q95-L115 WeakPolarHBondContact O-CA 3.39Å; R96-L115 HydrophobicContact CB-CG 4.25Å; R96-L115 HydrophobicContact CG-CD1 3.91Å; R96-L115 HydrophobicContact CG-CG 4.12Å; L115-Y122 HydrophobicContact CB-CD1 4.44Å; L115-Y122 WeakPolarHBondContact O-CB 3.48Å; L115-Y122 PolarHBondContact O-N 3.2Å; L115-I123 HydrophobicContact CB-CG2 4.14Å; L115-I123 HydrophobicContact CD1-CG2 4.33Å; L115-I123 HydrophobicContact CD2-CG2 4.46Å; L115-I123 PolarHBondContact N-O 2.65Å; L115-I123 PolarHBondContact O-N 3.28Å; L115-W146 HydrophobicContact CD1-CH2 3.84Å; L115-W146 HydrophobicContact CD1-CZ3 4.32Å; L115-W146 HydrophobicContact CD2-CH2 3.84Å; L115-W146 HydrophobicContact CD2-CZ2 4.4Å
116	A	98.8	Very high	98.1	Very high	18 Å²	18	53 Å²	53	15%	0.149	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.1	172.9	0	0	0	0	0	110.5	L94 Q95 K120	L94-A116 WeakPolarHBondContact CD1-O 3.3Å; Q95-A116 HydrophobicContact CB-CB 4.38Å; Q95-A116 PolarHBondContact N-O 3.49Å; Q95-A116 PolarHBondContact O-N 2.94Å; A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.12Å; A116-K120 VanDerWaalsContact CB-O 3.29Å; A116-K120 WeakPolarHBondContact CB-O 3.17Å
117	Y	98.8	Very high	98.3	Very high	10 Å²	10	58.6 Å²	58.6	4%	0.039	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.7	176.7	-173.3	-122.5	0	0	0	110.1	L77 L80 Y84 Q86 H92 T93 G119 K120	L77-Y117 HydrophobicContact CD2-CE2 4.06Å; L80-Y117 HydrophobicContact CB-CD1 4.38Å; L80-Y117 HydrophobicContact CB-CD2 4.21Å; L80-Y117 HydrophobicContact CB-CE1 4Å; L80-Y117 HydrophobicContact CB-CE2 3.83Å; L80-Y117 HydrophobicContact CB-CG 4.47Å; L80-Y117 HydrophobicContact CD1-CD2 3.62Å; L80-Y117 HydrophobicContact CD1-CE2 3.91Å; L80-Y117 HydrophobicContact CD1-CG 4.08Å; L80-Y117 HydrophobicContact CG-CD2 4.42Å; L80-Y117 HydrophobicContact CG-CE2 4.47Å; Y84-Y117 AromaticContact CD2-CD1 3.69Å; Y84-Y117 HydrophobicContact CD2-CD1 3.69Å; Y84-Y117 AromaticContact CD2-CE1 3.51Å; Y84-Y117 HydrophobicContact CD2-CE1 3.51Å; Y84-Y117 AromaticContact CE2-CD1 3.5Å; Y84-Y117 HydrophobicContact CE2-CD1 3.5Å; Y84-Y117 AromaticContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Q86-Y117 PolarHBondContact OE1-OH 2.74Å; H92-Y117 HydrophobicContact CB-CE2 3.81Å; H92-Y117 WeakPolarHBondContact CB-OH 3.17Å; H92-Y117 AromaticContact CG-CZ 4Å; H92-Y117 VanDerWaalsContact CG-OH 3.23Å; H92-Y117 AromaticContact ND1-CZ 3.96Å; H92-Y117 PolarHBondContact ND1-OH 2.84Å; T93-Y117 WeakPolarHBondContact O-CA 3.28Å; T93-Y117 WeakPolarHBondContact O-CD2 3.27Å; Y117-G119 PolarHBondContact O-N 3.11Å; Y117-K120 PolarHBondContact N-O 3.05Å; Y117-K120 PolarHBondContact O-N 3.02Å
118	D	98.3	Very high	98.4	Very high	63 Å²	63	54.4 Å²	54.4	34%	0.337	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	39.6	-174.6	-66	-21.8	0	0	0	113.2	Q86 H92 T93 K120	Q86-D118 PolarHBondContact NE2-OD2 3.46Å; H92-D118 WeakPolarHBondContact CA-OD1 3.43Å; H92-D118 WeakPolarHBondContact CB-OD1 3.43Å; H92-D118 IonicContact CE1-OD2 3.2Å; H92-D118 IonicContact CG-OD1 3.59Å; H92-D118 IonicContact CG-OD2 2.62Å; H92-D118 IonicContact ND1-OD1 2.61Å; H92-D118 IonicContact ND1-OD2 3.22Å; H92-D118 PolarHBondContact ND1-OD2 2.94Å; T93-D118 PolarHBondContact N-OD1 3.08Å; T93-D118 PolarHBondContact O-N 3.29Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 3.34Å
119	G	97.7	Very high	98.4	Very high	60 Å²	60	52.3 Å²	52.3	62%	0.619	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	8.3	177.3	0	0	0	0	0	115.2	Y117	Y117-G119 PolarHBondContact O-N 3.11Å
120	K	98.5	Very high	98.4	Very high	161 Å²	161	49.5 Å²	49.5	70%	0.7	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	146.9	175.5	-62.1	-178.3	-178	178.4	0	110.7	A116 Y117 D118 Y122	A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.12Å; A116-K120 VanDerWaalsContact CB-O 3.29Å; A116-K120 WeakPolarHBondContact CB-O 3.17Å; Y117-K120 PolarHBondContact N-O 3.05Å; Y117-K120 PolarHBondContact O-N 3.02Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 3.34Å; K120-Y122 PolarHBondContact O-N 2.89Å
121	D	98.7	Very high	98.5	Very high	132 Å²	132	47 Å²	47	71%	0.706	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.5	136.4	173.6	-66.3	-12.4	0	0	0	110.5	A135	D121-A135 HydrophobicContact CB-CB 4.25Å; D121-A135 WeakPolarHBondContact O-CB 3.33Å
122	Y	98.8	Very high	98.5	Very high	5 Å²	5	47.2 Å²	47.2	2%	0.02	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-64.4	178.1	-178.3	-108.8	0	0	0	110.4	L80 Y84 L115 K120 A135 A138 A139 T142	L80-Y122 HydrophobicContact CD2-CD1 4.37Å; L80-Y122 HydrophobicContact CD2-CD2 4.1Å; L80-Y122 HydrophobicContact CD2-CE1 3.8Å; L80-Y122 HydrophobicContact CD2-CE2 3.45Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.45Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.42Å; Y84-Y122 HydrophobicContact CE2-CD2 4.31Å; Y84-Y122 AromaticContact CE2-CE2 3.98Å; Y84-Y122 HydrophobicContact CE2-CE2 3.98Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.29Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.21Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.27Å; L115-Y122 HydrophobicContact CB-CD1 4.44Å; L115-Y122 WeakPolarHBondContact O-CB 3.48Å; L115-Y122 PolarHBondContact O-N 3.2Å; K120-Y122 PolarHBondContact O-N 2.89Å; Y122-A135 WeakPolarHBondContact O-CB 3.09Å; Y122-A135 PolarHBondContact O-N 2.95Å; Y122-A138 HydrophobicContact CE2-CB 4.44Å; Y122-A138 PolarHBondContact OH-O 3.34Å; Y122-A139 HydrophobicContact CD2-CB 3.83Å; Y122-A139 HydrophobicContact CE1-CB 4.4Å; Y122-A139 HydrophobicContact CE2-CB 3.71Å; Y122-A139 HydrophobicContact CG-CB 4.24Å; Y122-A139 WeakPolarHBondContact O-CB 3.44Å; Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 PolarHBondContact OH-OG1 3.33Å
123	I	98.8	Very high	98.5	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.015	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	141.9	178.1	-162.9	173.9	0	0	0	110.7	L115 W132 T133 T142 Q143 W146	L115-I123 HydrophobicContact CB-CG2 4.14Å; L115-I123 HydrophobicContact CD1-CG2 4.33Å; L115-I123 HydrophobicContact CD2-CG2 4.46Å; L115-I123 PolarHBondContact N-O 2.65Å; L115-I123 PolarHBondContact O-N 3.28Å; I123-W132 HydrophobicContact CD1-CB 4.1Å; I123-W132 HydrophobicContact CD1-CD2 4.34Å; I123-W132 HydrophobicContact CD1-CE3 4.17Å; I123-W132 HydrophobicContact CD1-CG 4.32Å; I123-W132 HydrophobicContact CG1-CB 4.23Å; I123-W132 HydrophobicContact CG1-CE3 4.01Å; I123-T133 WeakPolarHBondContact CA-O 3.13Å; I123-T133 WeakPolarHBondContact CG1-O 3.39Å; I123-T142 HydrophobicContact CD1-CG2 4.15Å; I123-Q143 HydrophobicContact CD1-CB 3.86Å; I123-W146 HydrophobicContact CD1-CE3 4.18Å; I123-W146 HydrophobicContact CD1-CZ3 4.49Å; I123-W146 HydrophobicContact CG2-CH2 4.22Å; I123-W146 HydrophobicContact CG2-CZ3 3.86Å
124	A	98.8	Very high	98.5	Very high	24 Å²	24	51.2 Å²	51.2	20%	0.198	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.4	-179.3	0	0	0	0	0	111.7	Q114 W132 T133	Q114-A124 HydrophobicContact CB-CB 4.4Å; Q114-A124 HydrophobicContact CG-CB 3.84Å; A124-W132 VanDerWaalsContact C-CE3 3.47Å; A124-W132 CarbonylContact O-C 3.59Å; A124-W132 WeakPolarHBondContact O-CA 3.45Å; A124-T133 PolarHBondContact N-O 3.1Å; A124-T133 PolarHBondContact O-N 2.94Å
125	L	98.8	Very high	98.5	Very high	10 Å²	10	50.3 Å²	50.3	5%	0.052	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	129.3	168.4	-175.1	66	0	0	0	108.6	N113 L129 W132 A152 D155 L159	N113-L125 HydrophobicContact CB-CB 4.01Å; N113-L125 HydrophobicContact CB-CD2 4.23Å; N113-L125 WeakPolarHBondContact O-CB 3.49Å; N113-L125 PolarHBondContact O-N 3.35Å; L125-L129 HydrophobicContact CD2-CD2 3.77Å; L125-L129 HydrophobicContact CG-CD2 4.29Å; L125-W132 HydrophobicContact CB-CE3 3.99Å; L125-W132 HydrophobicContact CB-CH2 3.94Å; L125-W132 HydrophobicContact CB-CZ3 3.58Å; L125-W132 HydrophobicContact CD1-CD2 4.18Å; L125-W132 HydrophobicContact CD1-CE3 4.33Å; L125-W132 HydrophobicContact CD1-CH2 3.98Å; L125-W132 HydrophobicContact CD1-CZ2 3.82Å; L125-W132 HydrophobicContact CD1-CZ3 4.22Å; L125-W132 HydrophobicContact CG-CH2 4.44Å; L125-W132 HydrophobicContact CG-CZ3 4.47Å; L125-A152 HydrophobicContact CD1-CB 3.91Å; L125-D155 HydrophobicContact CD2-CB 4.05Å; L125-L159 HydrophobicContact CD2-CD1 3.85Å
126	N	98.7	Very high	98.5	Very high	43 Å²	43	51.8 Å²	51.8	23%	0.23	31%	0.306	C	S	.	.			trans	-74.6	164.5	179.4	-66.9	-28.4	0	0	0	111.3	D128 L129 S131 T133	N126-D128 PolarHBondContact O-N 2.88Å; N126-D128 VanDerWaalsContact O-N 3.12Å; N126-L129 PolarHBondContact O-N 2.95Å; N126-S131 WeakPolarHBondContact CB-O 3.33Å; N126-S131 WeakPolarHBondContact CB-OG 3.46Å; N126-S131 PolarHBondContact N-O 3.44Å; N126-S131 PolarHBondContact ND2-OG 2.85Å; N126-T133 PolarHBondContact ND2-OG1 2.61Å; N126-T133 WeakPolarHBondContact OD1-CB 3.43Å; N126-T133 PolarHBondContact OD1-OG1 3.19Å
127	E	97.8	Very high	98.4	Very high	137 Å²	137	56.2 Å²	56.2	64%	0.64	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.5	-178.5	-68.6	178.6	-158.6	0	0	113.7	R110 L129	R110-E127 VanDerWaalsContact CZ-CD 3.48Å; R110-E127 VanDerWaalsContact CZ-CG 3.49Å; R110-E127 IonicContact CZ-OE1 4Å; R110-E127 IonicContact NH1-OE1 3.41Å; R110-E127 PolarHBondContact NH1-OE1 2.75Å; R110-E127 IonicContact NH1-OE2 3.3Å; R110-E127 IonicContact NH2-OE1 3.79Å; R110-E127 PolarHBondContact NH2-OE1 2.89Å; E127-L129 PolarHBondContact O-N 2.82Å
128	D	97.9	Very high	98.4	Very high	84 Å²	84	56 Å²	56	45%	0.449	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-5.9	174.7	67.2	21.1	0	0	0	113.8	N126 S130 S131	N126-D128 PolarHBondContact O-N 2.88Å; N126-D128 VanDerWaalsContact O-N 3.12Å; D128-S130 PolarHBondContact O-N 2.63Å; D128-S130 VanDerWaalsContact O-N 3.1Å; D128-S130 WeakPolarHBondContact OD1-CA 3.38Å; D128-S130 PolarHBondContact OD1-N 3.16Å; D128-S130 PolarHBondContact OD1-OG 3.42Å; D128-S130 PolarHBondContact OD2-OG 2.99Å; D128-S131 VanDerWaalsContact CG-OG 3.27Å; D128-S131 PolarHBondContact OD1-N 2.84Å; D128-S131 PolarHBondContact OD1-OG 2.8Å; D128-S131 WeakPolarHBondContact OD2-CB 3.35Å; D128-S131 PolarHBondContact OD2-OG 3.12Å
129	L	98.3	Very high	98.4	Very high	10 Å²	10	53 Å²	53	5%	0.052	32%	0.315	C	S	.	.	S	Bend	trans	51.5	30.8	-177.2	-52.4	-176.7	0	0	0	113.6	L108 L125 N126 E127 R156 L159 E160	L108-L129 HydrophobicContact CD2-CD1 4.27Å; L125-L129 HydrophobicContact CD2-CD2 3.77Å; L125-L129 HydrophobicContact CG-CD2 4.29Å; N126-L129 PolarHBondContact O-N 2.95Å; E127-L129 PolarHBondContact O-N 2.82Å; L129-R156 HydrophobicContact CB-CB 4.07Å; L129-R156 HydrophobicContact CB-CG 3.93Å; L129-R156 HydrophobicContact CD1-CG 4.18Å; L129-L159 HydrophobicContact CD2-CD1 3.93Å; L129-E160 HydrophobicContact CD1-CG 4.31Å
130	S	97.9	Very high	98.4	Very high	66 Å²	66	53.8 Å²	53.8	46%	0.462	30%	0.303	S	S	.	.	S	Bend	trans	-141.3	-24.8	-175.7	67.5	0	0	0	0	113.6	D128	D128-S130 PolarHBondContact O-N 2.63Å; D128-S130 VanDerWaalsContact O-N 3.1Å; D128-S130 WeakPolarHBondContact OD1-CA 3.38Å; D128-S130 PolarHBondContact OD1-N 3.16Å; D128-S130 PolarHBondContact OD1-OG 3.42Å; D128-S130 PolarHBondContact OD2-OG 2.99Å
131	S	98.3	Very high	98.4	Very high	37 Å²	37	49 Å²	49	26%	0.259	28%	0.284	S	S	.	.			trans	-119.8	162.7	-179.8	70.2	0	0	0	0	112.3	N126 D128	N126-S131 WeakPolarHBondContact CB-O 3.33Å; N126-S131 WeakPolarHBondContact CB-OG 3.46Å; N126-S131 PolarHBondContact N-O 3.44Å; N126-S131 PolarHBondContact ND2-OG 2.85Å; D128-S131 VanDerWaalsContact CG-OG 3.27Å; D128-S131 PolarHBondContact OD1-N 2.84Å; D128-S131 PolarHBondContact OD1-OG 2.8Å; D128-S131 WeakPolarHBondContact OD2-CB 3.35Å; D128-S131 PolarHBondContact OD2-OG 3.12Å
132	W	98.8	Very high	98.4	Very high	10 Å²	10	43.5 Å²	43.5	4%	0.038	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146	-176.6	-61.5	91.6	0	0	0	111.4	I123 A124 L125 Q143 W146 V151 A152 D155	I123-W132 HydrophobicContact CD1-CB 4.1Å; I123-W132 HydrophobicContact CD1-CD2 4.34Å; I123-W132 HydrophobicContact CD1-CE3 4.17Å; I123-W132 HydrophobicContact CD1-CG 4.32Å; I123-W132 HydrophobicContact CG1-CB 4.23Å; I123-W132 HydrophobicContact CG1-CE3 4.01Å; A124-W132 VanDerWaalsContact C-CE3 3.47Å; A124-W132 CarbonylContact O-C 3.59Å; A124-W132 WeakPolarHBondContact O-CA 3.45Å; L125-W132 HydrophobicContact CB-CE3 3.99Å; L125-W132 HydrophobicContact CB-CH2 3.94Å; L125-W132 HydrophobicContact CB-CZ3 3.58Å; L125-W132 HydrophobicContact CD1-CD2 4.18Å; L125-W132 HydrophobicContact CD1-CE3 4.33Å; L125-W132 HydrophobicContact CD1-CH2 3.98Å; L125-W132 HydrophobicContact CD1-CZ2 3.82Å; L125-W132 HydrophobicContact CD1-CZ3 4.22Å; L125-W132 HydrophobicContact CG-CH2 4.44Å; L125-W132 HydrophobicContact CG-CZ3 4.47Å; W132-Q143 HydrophobicContact CB-CG 4.16Å; W132-Q143 PolarHBondContact O-NE2 3.14Å; W132-Q143 VanDerWaalsContact O-NE2 3.16Å; W132-W146 AromaticContact CD2-CE3 3.93Å; W132-W146 HydrophobicContact CD2-CE3 3.93Å; W132-W146 HydrophobicContact CD2-CZ3 4.42Å; W132-W146 AromaticContact CE2-CE3 3.72Å; W132-W146 AromaticContact CE3-CE3 3.87Å; W132-W146 HydrophobicContact CE3-CE3 3.87Å; W132-W146 AromaticContact CE3-CZ3 3.9Å; W132-W146 HydrophobicContact CE3-CZ3 3.9Å; W132-W146 AromaticContact CH2-CE3 3.45Å; W132-W146 HydrophobicContact CH2-CE3 3.45Å; W132-W146 VanDerWaalsContact CH2-CE3 3.45Å; W132-W146 HydrophobicContact CH2-CH2 4.46Å; W132-W146 AromaticContact CH2-CZ3 3.33Å; W132-W146 HydrophobicContact CH2-CZ3 3.33Å; W132-W146 HydrophobicContact CZ2-CD2 4.46Å; W132-W146 AromaticContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CE3 3.48Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.48Å; W132-W146 AromaticContact CZ2-CZ3 3.9Å; W132-W146 HydrophobicContact CZ2-CZ3 3.9Å; W132-W146 AromaticContact CZ3-CE3 3.65Å; W132-W146 HydrophobicContact CZ3-CE3 3.65Å; W132-W146 AromaticContact CZ3-CZ3 3.34Å; W132-W146 HydrophobicContact CZ3-CZ3 3.34Å; W132-V151 HydrophobicContact CZ2-CB 4.43Å; W132-V151 HydrophobicContact CZ2-CG1 4.12Å; W132-A152 HydrophobicContact CZ2-CB 4.24Å; W132-D155 VanDerWaalsContact CH2-OD2 3.26Å; W132-D155 WeakPolarHBondContact CH2-OD2 3.26Å
133	T	98.8	Very high	98.4	Very high	79 Å²	79	45 Å²	45	49%	0.485	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116	166.1	-65.1	0	0	0	0	109	I123 A124 N126	I123-T133 WeakPolarHBondContact CA-O 3.13Å; I123-T133 WeakPolarHBondContact CG1-O 3.39Å; A124-T133 PolarHBondContact N-O 3.1Å; A124-T133 PolarHBondContact O-N 2.94Å; N126-T133 PolarHBondContact ND2-OG1 2.61Å; N126-T133 WeakPolarHBondContact OD1-CB 3.43Å; N126-T133 PolarHBondContact OD1-OG1 3.19Å
134	A	98.7	Very high	98.4	Very high	23 Å²	23	52.3 Å²	52.3	19%	0.19	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	133.8	174.5	0	0	0	0	0	110.7	A139 Q140 Q143	A134-A139 HydrophobicContact CB-CB 3.75Å; A134-Q140 HydrophobicContact CB-CG 3.93Å; A134-Q143 HydrophobicContact CB-CB 4.38Å
135	A	98.6	Very high	98.4	Very high	59 Å²	59	56.7 Å²	56.7	49%	0.488	30%	0.304	S	S	.	.	S	Bend	trans	-76.7	-30.8	-176.3	0	0	0	0	0	113.6	D121 Y122	D121-A135 HydrophobicContact CB-CB 4.25Å; D121-A135 WeakPolarHBondContact O-CB 3.33Å; Y122-A135 WeakPolarHBondContact O-CB 3.09Å; Y122-A135 PolarHBondContact O-N 2.95Å
136	D	98.3	Very high	98.3	Very high	54 Å²	54	59 Å²	59	29%	0.289	31%	0.313	S	S	.	.	S	Bend	trans	-149.9	-175.8	-178.8	66.4	25.8	0	0	0	112.8	Y84 A138 A139 Q140	Y84-D136 VanDerWaalsContact CE1-OD2 3.24Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 3.4Å; Y84-D136 PolarHBondContact OH-OD2 3.36Å; D136-A138 VanDerWaalsContact C-N 3.3Å; D136-A138 PolarHBondContact O-N 2.81Å; D136-A138 WeakPolarHBondContact OD1-CA 3.49Å; D136-A138 WeakPolarHBondContact OD1-CB 3.38Å; D136-A138 PolarHBondContact OD1-N 2.75Å; D136-A139 PolarHBondContact O-N 3.2Å; D136-A139 PolarHBondContact OD1-N 2.92Å; D136-Q140 WeakPolarHBondContact O-CG 3.24Å; D136-Q140 PolarHBondContact O-N 2.82Å
137	T	98.1	Very high	98.3	Very high	111 Å²	111	61.5 Å²	61.5	68%	0.681	32%	0.323	S	S	*	.	H	α-helix	trans	-66.7	-28.4	-179.2	51.5	0	0	0	0	113.6
138	A	97.8	Very high	98.4	Very high	6 Å²	6	59.1 Å²	59.1	5%	0.05	33%	0.327	C	S	.	.	H	α-helix	trans	-70.9	-44.7	174.2	0	0	0	0	0	110.2	Y84 Y122 D136 Q140 I141	Y84-A138 HydrophobicContact CD1-CB 4.25Å; Y84-A138 HydrophobicContact CD2-CB 4.46Å; Y84-A138 HydrophobicContact CE1-CB 3.69Å; Y84-A138 HydrophobicContact CE2-CB 3.92Å; Y122-A138 HydrophobicContact CE2-CB 4.44Å; Y122-A138 PolarHBondContact OH-O 3.34Å; D136-A138 VanDerWaalsContact C-N 3.3Å; D136-A138 PolarHBondContact O-N 2.81Å; D136-A138 WeakPolarHBondContact OD1-CA 3.49Å; D136-A138 WeakPolarHBondContact OD1-CB 3.38Å; D136-A138 PolarHBondContact OD1-N 2.75Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.45Å; A138-I141 VanDerWaalsContact O-CB 3.25Å; A138-I141 WeakPolarHBondContact O-CB 3.37Å; A138-I141 PolarHBondContact O-N 3.43Å
139	A	98.5	Very high	98.4	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61	-33	174.9	0	0	0	0	0	113.3	Y122 A134 D136 I141 T142 Q143	Y122-A139 HydrophobicContact CD2-CB 3.83Å; Y122-A139 HydrophobicContact CE1-CB 4.4Å; Y122-A139 HydrophobicContact CE2-CB 3.71Å; Y122-A139 HydrophobicContact CG-CB 4.24Å; Y122-A139 WeakPolarHBondContact O-CB 3.44Å; A134-A139 HydrophobicContact CB-CB 3.75Å; D136-A139 PolarHBondContact O-N 3.2Å; D136-A139 PolarHBondContact OD1-N 2.92Å; A139-I141 PolarHBondContact O-N 2.87Å; A139-T142 WeakPolarHBondContact O-CB 3.49Å; A139-T142 PolarHBondContact O-N 3.23Å; A139-Q143 PolarHBondContact O-N 3.45Å
140	Q	98.7	Very high	98.4	Very high	75 Å²	75	64.9 Å²	64.9	35%	0.35	35%	0.354	S	S	.	.	H	α-helix	trans	-61.2	-27.2	173.5	-73.3	174.6	6.9	0	0	113	A134 D136 A138 R144	A134-Q140 HydrophobicContact CB-CG 3.93Å; D136-Q140 WeakPolarHBondContact O-CG 3.24Å; D136-Q140 PolarHBondContact O-N 2.82Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.45Å; Q140-R144 WeakPolarHBondContact O-CG 3.49Å; Q140-R144 PolarHBondContact O-N 3.08Å; Q140-R144 VanDerWaalsContact O-N 3.13Å
141	I	98.3	Very high	98.4	Very high	60 Å²	60	63 Å²	63	31%	0.308	34%	0.34	S	S	.	.	H	α-helix	trans	-65.7	-45.4	173.5	-57.8	170.6	0	0	0	109.7	Y83 A138 A139 K145	Y83-I141 HydrophobicContact CD1-CD1 4.22Å; Y83-I141 HydrophobicContact CE1-CG2 4.23Å; Y83-I141 HydrophobicContact CE2-CB 4.27Å; Y83-I141 HydrophobicContact CE2-CG2 4.05Å; Y83-I141 HydrophobicContact CG-CD1 4.24Å; A138-I141 VanDerWaalsContact O-CB 3.25Å; A138-I141 WeakPolarHBondContact O-CB 3.37Å; A138-I141 PolarHBondContact O-N 3.43Å; A139-I141 PolarHBondContact O-N 2.87Å; I141-K145 WeakPolarHBondContact O-CG 3.37Å; I141-K145 PolarHBondContact O-N 3.06Å
142	T	98.3	Very high	98.4	Very high	17 Å²	17	61.6 Å²	61.6	10%	0.104	33%	0.33	C	S	.	.	H	α-helix	trans	-63.5	-46.2	175	-67.8	0	0	0	0	111.1	Y122 I123 A139 R144 K145 W146	Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 PolarHBondContact OH-OG1 3.33Å; I123-T142 HydrophobicContact CD1-CG2 4.15Å; A139-T142 WeakPolarHBondContact O-CB 3.49Å; A139-T142 PolarHBondContact O-N 3.23Å; T142-R144 PolarHBondContact O-N 3.44Å; T142-K145 WeakPolarHBondContact O-CB 3.44Å; T142-K145 PolarHBondContact O-N 3.29Å; T142-K145 VanDerWaalsContact O-N 3.12Å; T142-W146 HydrophobicContact CG2-CD2 3.75Å; T142-W146 HydrophobicContact CG2-CE3 4.24Å; T142-W146 HydrophobicContact CG2-CG 4.08Å; T142-W146 HydrophobicContact CG2-CH2 4.47Å; T142-W146 HydrophobicContact CG2-CZ2 4Å; T142-W146 PolarHBondContact O-N 3.32Å
143	Q	98.7	Very high	98.4	Very high	38 Å²	38	65.3 Å²	65.3	18%	0.178	35%	0.348	C	S	.	.	H	α-helix	trans	-51.8	-53.1	178.9	176.8	172.9	16.4	0	0	111.8	I123 W132 A134 A139 K145 W146 E147	I123-Q143 HydrophobicContact CD1-CB 3.86Å; W132-Q143 HydrophobicContact CB-CG 4.16Å; W132-Q143 PolarHBondContact O-NE2 3.14Å; W132-Q143 VanDerWaalsContact O-NE2 3.16Å; A134-Q143 HydrophobicContact CB-CB 4.38Å; A139-Q143 PolarHBondContact O-N 3.45Å; Q143-K145 VanDerWaalsContact C-N 3.29Å; Q143-K145 PolarHBondContact O-N 3.11Å; Q143-W146 PolarHBondContact O-N 3.5Å; Q143-W146 VanDerWaalsContact O-N 3.11Å; Q143-E147 HydrophobicContact CG-CG 4.3Å; Q143-E147 WeakPolarHBondContact CG-OE1 2.98Å; Q143-E147 PolarHBondContact NE2-OE1 3.37Å; Q143-E147 WeakPolarHBondContact O-CB 3.4Å; Q143-E147 WeakPolarHBondContact O-CG 3.29Å; Q143-E147 PolarHBondContact O-N 3.32Å
144	R	98.6	Very high	98.3	Very high	156 Å²	156	67.8 Å²	67.8	59%	0.589	35%	0.354	S	S	*	.	H	α-helix	trans	-59.6	-38.8	-179.5	-68.6	170.6	-168	155.7	8	112.6	Q140 T142 A148	Q140-R144 WeakPolarHBondContact O-CG 3.49Å; Q140-R144 PolarHBondContact O-N 3.08Å; Q140-R144 VanDerWaalsContact O-N 3.13Å; T142-R144 PolarHBondContact O-N 3.44Å; R144-A148 WeakPolarHBondContact O-CB 3.38Å; R144-A148 PolarHBondContact O-N 2.83Å
145	K	98	Very high	98.3	Very high	115 Å²	115	67.8 Å²	67.8	50%	0.5	35%	0.351	S	S	.	.	H	α-helix	trans	-66.2	-43.6	176.4	-71.6	177.7	175.5	-174.2	0	111.5	Y83 I141 T142 Q143 A148 A149	Y83-K145 PolarHBondContact OH-NZ 3.37Å; I141-K145 WeakPolarHBondContact O-CG 3.37Å; I141-K145 PolarHBondContact O-N 3.06Å; T142-K145 WeakPolarHBondContact O-CB 3.44Å; T142-K145 PolarHBondContact O-N 3.29Å; T142-K145 VanDerWaalsContact O-N 3.12Å; Q143-K145 VanDerWaalsContact C-N 3.29Å; Q143-K145 PolarHBondContact O-N 3.11Å; K145-A148 PolarHBondContact O-N 3.33Å; K145-A149 WeakPolarHBondContact O-CB 3.46Å; K145-A149 PolarHBondContact O-N 2.86Å
146	W	98.4	Very high	98.3	Very high	60 Å²	60	69.2 Å²	69.2	23%	0.227	34%	0.344	C	S	.	.	H	α-helix	trans	-70.2	-37.4	-178.6	-77.3	10.9	0	0	0	112.5	L115 I123 W132 T142 Q143 A149 R150 V151	L115-W146 HydrophobicContact CD1-CH2 3.84Å; L115-W146 HydrophobicContact CD1-CZ3 4.32Å; L115-W146 HydrophobicContact CD2-CH2 3.84Å; L115-W146 HydrophobicContact CD2-CZ2 4.4Å; I123-W146 HydrophobicContact CD1-CE3 4.18Å; I123-W146 HydrophobicContact CD1-CZ3 4.49Å; I123-W146 HydrophobicContact CG2-CH2 4.22Å; I123-W146 HydrophobicContact CG2-CZ3 3.86Å; W132-W146 AromaticContact CD2-CE3 3.93Å; W132-W146 HydrophobicContact CD2-CE3 3.93Å; W132-W146 HydrophobicContact CD2-CZ3 4.42Å; W132-W146 AromaticContact CE2-CE3 3.72Å; W132-W146 AromaticContact CE3-CE3 3.87Å; W132-W146 HydrophobicContact CE3-CE3 3.87Å; W132-W146 AromaticContact CE3-CZ3 3.9Å; W132-W146 HydrophobicContact CE3-CZ3 3.9Å; W132-W146 AromaticContact CH2-CE3 3.45Å; W132-W146 HydrophobicContact CH2-CE3 3.45Å; W132-W146 VanDerWaalsContact CH2-CE3 3.45Å; W132-W146 HydrophobicContact CH2-CH2 4.46Å; W132-W146 AromaticContact CH2-CZ3 3.33Å; W132-W146 HydrophobicContact CH2-CZ3 3.33Å; W132-W146 HydrophobicContact CZ2-CD2 4.46Å; W132-W146 AromaticContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CE3 3.48Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.48Å; W132-W146 AromaticContact CZ2-CZ3 3.9Å; W132-W146 HydrophobicContact CZ2-CZ3 3.9Å; W132-W146 AromaticContact CZ3-CE3 3.65Å; W132-W146 HydrophobicContact CZ3-CE3 3.65Å; W132-W146 AromaticContact CZ3-CZ3 3.34Å; W132-W146 HydrophobicContact CZ3-CZ3 3.34Å; T142-W146 HydrophobicContact CG2-CD2 3.75Å; T142-W146 HydrophobicContact CG2-CE3 4.24Å; T142-W146 HydrophobicContact CG2-CG 4.08Å; T142-W146 HydrophobicContact CG2-CH2 4.47Å; T142-W146 HydrophobicContact CG2-CZ2 4Å; T142-W146 PolarHBondContact O-N 3.32Å; Q143-W146 PolarHBondContact O-N 3.5Å; Q143-W146 VanDerWaalsContact O-N 3.11Å; W146-A149 CarbonylContact O-C 3.54Å; W146-A149 PolarHBondContact O-N 3.14Å; W146-R150 PolarHBondContact O-N 2.85Å; W146-V151 HydrophobicContact CB-CB 3.95Å; W146-V151 HydrophobicContact CB-CG2 3.9Å; W146-V151 HydrophobicContact CD2-CB 4.38Å; W146-V151 HydrophobicContact CD2-CG1 4.17Å; W146-V151 HydrophobicContact CD2-CG2 4.46Å; W146-V151 HydrophobicContact CE3-CG1 4.38Å; W146-V151 HydrophobicContact CG-CB 4.05Å; W146-V151 HydrophobicContact CG-CG1 4.34Å; W146-V151 HydrophobicContact CG-CG2 3.82Å; W146-V151 PolarHBondContact O-N 3.19Å
147	E	98.6	Very high	98.3	Very high	94 Å²	94	69.7 Å²	69.7	44%	0.439	36%	0.355	S	S	.	.	H	α-helix	trans	-63.7	-47.6	172.1	-72.7	169.3	174.2	0	0	111.1	Q143 A149 R150	Q143-E147 HydrophobicContact CG-CG 4.3Å; Q143-E147 WeakPolarHBondContact CG-OE1 2.98Å; Q143-E147 PolarHBondContact NE2-OE1 3.37Å; Q143-E147 WeakPolarHBondContact O-CB 3.4Å; Q143-E147 WeakPolarHBondContact O-CG 3.29Å; Q143-E147 PolarHBondContact O-N 3.32Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 3.14Å; E147-R150 PolarHBondContact O-N 3.13Å; E147-R150 VanDerWaalsContact O-N 3.1Å
148	A	98.4	Very high	98.3	Very high	88 Å²	88	67.4 Å²	67.4	73%	0.727	33%	0.334	S	S	*	.	H	α-helix	trans	-61.2	-35.9	177.1	0	0	0	0	0	112.8	R144 K145	R144-A148 WeakPolarHBondContact O-CB 3.38Å; R144-A148 PolarHBondContact O-N 2.83Å; K145-A148 PolarHBondContact O-N 3.33Å
149	A	98.2	Very high	98.3	Very high	59 Å²	59	67.2 Å²	67.2	49%	0.488	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	2.3	177.9	0	0	0	0	0	114.1	K145 W146 E147 V151	K145-A149 WeakPolarHBondContact O-CB 3.46Å; K145-A149 PolarHBondContact O-N 2.86Å; W146-A149 CarbonylContact O-C 3.54Å; W146-A149 PolarHBondContact O-N 3.14Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 3.14Å; A149-V151 VanDerWaalsContact C-N 3.27Å; A149-V151 HydrophobicContact CB-CG2 4.08Å; A149-V151 PolarHBondContact O-N 3.1Å
150	R	98	Very high	98.3	Very high	156 Å²	156	72.3 Å²	72.3	59%	0.589	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	39.9	-178.9	-60.5	173.5	171.3	-128.6	7.6	113.8	W146 E147 A152 E153	W146-R150 PolarHBondContact O-N 2.85Å; E147-R150 PolarHBondContact O-N 3.13Å; E147-R150 VanDerWaalsContact O-N 3.1Å; R150-A152 PolarHBondContact O-N 3.15Å; R150-E153 HydrophobicContact CB-CG 4.2Å; R150-E153 WeakPolarHBondContact CD-OE1 3.24Å; R150-E153 IonicContact CZ-OE1 3.67Å; R150-E153 IonicContact NE-OE1 3.93Å; R150-E153 IonicContact NH1-OE1 2.86Å; R150-E153 PolarHBondContact NH1-OE1 2.82Å; R150-E153 IonicContact NH1-OE2 3.74Å; R150-E153 WeakPolarHBondContact O-CB 3.26Å; R150-E153 PolarHBondContact O-N 3.15Å; R150-E153 VanDerWaalsContact O-N 3.1Å
151	V	98.3	Very high	98.3	Very high	27 Å²	27	69.8 Å²	69.8	16%	0.164	35%	0.35	C	S	.	.	H	α-helix	trans	-60.2	-35.1	-177.5	176.6	0	0	0	0	111.8	W132 W146 A149 E153 Q154 D155	W132-V151 HydrophobicContact CZ2-CB 4.43Å; W132-V151 HydrophobicContact CZ2-CG1 4.12Å; W146-V151 HydrophobicContact CB-CB 3.95Å; W146-V151 HydrophobicContact CB-CG2 3.9Å; W146-V151 HydrophobicContact CD2-CB 4.38Å; W146-V151 HydrophobicContact CD2-CG1 4.17Å; W146-V151 HydrophobicContact CD2-CG2 4.46Å; W146-V151 HydrophobicContact CE3-CG1 4.38Å; W146-V151 HydrophobicContact CG-CB 4.05Å; W146-V151 HydrophobicContact CG-CG1 4.34Å; W146-V151 HydrophobicContact CG-CG2 3.82Å; W146-V151 PolarHBondContact O-N 3.19Å; A149-V151 VanDerWaalsContact C-N 3.27Å; A149-V151 HydrophobicContact CB-CG2 4.08Å; A149-V151 PolarHBondContact O-N 3.1Å; V151-E153 PolarHBondContact O-N 3.49Å; V151-Q154 WeakPolarHBondContact O-CB 3.4Å; V151-Q154 PolarHBondContact O-N 3.38Å; V151-D155 PolarHBondContact O-N 3.13Å; V151-D155 VanDerWaalsContact O-N 3.08Å
152	A	98.5	Very high	98.3	Very high	7 Å²	7	71.8 Å²	71.8	6%	0.058	36%	0.361	C	S	.	.	H	α-helix	trans	-59.2	-33.8	177.6	0	0	0	0	0	112.9	L125 W132 R150 Q154 D155 R156	L125-A152 HydrophobicContact CD1-CB 3.91Å; W132-A152 HydrophobicContact CZ2-CB 4.24Å; R150-A152 PolarHBondContact O-N 3.15Å; A152-Q154 VanDerWaalsContact C-N 3.3Å; A152-Q154 PolarHBondContact O-N 3.37Å; A152-D155 PolarHBondContact O-N 3.04Å; A152-R156 VanDerWaalsContact O-CB 3.26Å; A152-R156 WeakPolarHBondContact O-CB 3.45Å; A152-R156 PolarHBondContact O-N 3.33Å
153	E	98.3	Very high	98.3	Very high	88 Å²	88	71 Å²	71	41%	0.411	36%	0.356	S	S	.	.	H	α-helix	trans	-65.9	-35.6	177.7	-62.8	178.8	-161.8	0	0	111.6	R150 V151 A157	R150-E153 HydrophobicContact CB-CG 4.2Å; R150-E153 WeakPolarHBondContact CD-OE1 3.24Å; R150-E153 IonicContact CZ-OE1 3.67Å; R150-E153 IonicContact NE-OE1 3.93Å; R150-E153 IonicContact NH1-OE1 2.86Å; R150-E153 PolarHBondContact NH1-OE1 2.82Å; R150-E153 IonicContact NH1-OE2 3.74Å; R150-E153 WeakPolarHBondContact O-CB 3.26Å; R150-E153 PolarHBondContact O-N 3.15Å; R150-E153 VanDerWaalsContact O-N 3.1Å; V151-E153 PolarHBondContact O-N 3.49Å; E153-A157 WeakPolarHBondContact O-CB 3.46Å; E153-A157 PolarHBondContact O-N 2.61Å
154	Q	97.4	Very high	98.3	Very high	131 Å²	131	69.6 Å²	69.6	61%	0.612	35%	0.35	S	S	*	.	H	α-helix	trans	-71.7	-45.3	177.6	-58.6	176.2	34.1	0	0	111.2	V151 A152 R156 A157 Y158	V151-Q154 WeakPolarHBondContact O-CB 3.4Å; V151-Q154 PolarHBondContact O-N 3.38Å; A152-Q154 VanDerWaalsContact C-N 3.3Å; A152-Q154 PolarHBondContact O-N 3.37Å; Q154-R156 VanDerWaalsContact C-N 3.35Å; Q154-A157 PolarHBondContact O-N 3.06Å; Q154-Y158 PolarHBondContact O-N 3.05Å; Q154-Y158 VanDerWaalsContact O-N 3.14Å
155	D	97.9	Very high	98.2	Very high	22 Å²	22	67.8 Å²	67.8	12%	0.118	35%	0.349	C	S	.	.	H	α-helix	trans	-62.8	-43	176.4	-74.5	-33.2	0	0	0	111.1	R96 N113 L125 W132 V151 A152 A157 Y158 L159	R96-D155 IonicContact NH2-OD1 3.98Å; R96-D155 PolarHBondContact NH2-OD1 2.86Å; N113-D155 PolarHBondContact ND2-OD1 3.25Å; N113-D155 PolarHBondContact ND2-OD2 3.22Å; L125-D155 HydrophobicContact CD2-CB 4.05Å; W132-D155 VanDerWaalsContact CH2-OD2 3.26Å; W132-D155 WeakPolarHBondContact CH2-OD2 3.26Å; V151-D155 PolarHBondContact O-N 3.13Å; V151-D155 VanDerWaalsContact O-N 3.08Å; A152-D155 PolarHBondContact O-N 3.04Å; D155-A157 PolarHBondContact O-N 3.3Å; D155-Y158 PolarHBondContact O-N 3.42Å; D155-L159 WeakPolarHBondContact O-CB 3.44Å; D155-L159 WeakPolarHBondContact O-CG 3.38Å; D155-L159 PolarHBondContact O-N 3.42Å
156	R	98.4	Very high	98.2	Very high	89 Å²	89	63.8 Å²	63.8	34%	0.336	34%	0.335	S	S	.	.	H	α-helix	trans	-58.7	-45.8	174.7	-176.5	178.2	62.4	-166.3	-3.9	111.8	L129 A152 Q154 Y158 L159 E160	L129-R156 HydrophobicContact CB-CB 4.07Å; L129-R156 HydrophobicContact CB-CG 3.93Å; L129-R156 HydrophobicContact CD1-CG 4.18Å; A152-R156 VanDerWaalsContact O-CB 3.26Å; A152-R156 WeakPolarHBondContact O-CB 3.45Å; A152-R156 PolarHBondContact O-N 3.33Å; Q154-R156 VanDerWaalsContact C-N 3.35Å; R156-Y158 VanDerWaalsContact C-N 3.27Å; R156-Y158 PolarHBondContact O-N 2.62Å; R156-L159 PolarHBondContact O-N 2.89Å; R156-L159 VanDerWaalsContact O-N 3.17Å; R156-E160 HydrophobicContact CG-CG 4.02Å; R156-E160 WeakPolarHBondContact CG-OE1 3.26Å; R156-E160 WeakPolarHBondContact O-CB 3.41Å; R156-E160 PolarHBondContact O-N 3.16Å
157	A	98.5	Very high	98.2	Very high	64 Å²	64	60.9 Å²	60.9	53%	0.529	32%	0.324	S	S	.	.	H	α-helix	trans	-59.2	-38.7	178.5	0	0	0	0	0	112.4	E153 Q154 D155 G161	E153-A157 WeakPolarHBondContact O-CB 3.46Å; E153-A157 PolarHBondContact O-N 2.61Å; Q154-A157 PolarHBondContact O-N 3.06Å; D155-A157 PolarHBondContact O-N 3.3Å; A157-G161 PolarHBondContact O-N 3.25Å; A157-G161 VanDerWaalsContact O-N 3.16Å
158	Y	98.2	Very high	98.2	Very high	63 Å²	63	62.4 Å²	62.4	25%	0.247	33%	0.326	C	S	.	.	H	α-helix	trans	-67.7	-48.1	173	170.1	-97.4	0	0	0	112.3	F98 Q154 D155 R156 G161 L162 C163	F98-Y158 AromaticContact CD2-CE1 3.79Å; F98-Y158 HydrophobicContact CD2-CE1 3.79Å; F98-Y158 AromaticContact CE2-CE1 3.88Å; F98-Y158 HydrophobicContact CE2-CE1 3.88Å; Q154-Y158 PolarHBondContact O-N 3.05Å; Q154-Y158 VanDerWaalsContact O-N 3.14Å; D155-Y158 PolarHBondContact O-N 3.42Å; R156-Y158 VanDerWaalsContact C-N 3.27Å; R156-Y158 PolarHBondContact O-N 2.62Å; Y158-G161 CarbonylContact O-C 3.55Å; Y158-G161 PolarHBondContact O-N 3.01Å; Y158-L162 HydrophobicContact CD2-CB 3.93Å; Y158-L162 HydrophobicContact CD2-CD1 4.43Å; Y158-L162 HydrophobicContact CE2-CB 4.13Å; Y158-L162 PolarHBondContact O-N 3.32Å; Y158-C163 HydrophobicContact CD1-CB 4.22Å; Y158-C163 HydrophobicContact CE1-CB 3.76Å; Y158-C163 WeakPolarHBondContact O-CB 3.41Å; Y158-C163 PolarHBondContact O-N 2.88Å
159	L	98.6	Very high	98.1	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-67	-38.3	-174	-70.2	168.8	0	0	0	112.8	G99 L125 L129 D155 R156 V164	G99-L159 WeakPolarHBondContact O-CD2 3.48Å; L125-L159 HydrophobicContact CD2-CD1 3.85Å; L129-L159 HydrophobicContact CD2-CD1 3.93Å; D155-L159 WeakPolarHBondContact O-CB 3.44Å; D155-L159 WeakPolarHBondContact O-CG 3.38Å; D155-L159 PolarHBondContact O-N 3.42Å; R156-L159 PolarHBondContact O-N 2.89Å; R156-L159 VanDerWaalsContact O-N 3.17Å; L159-V164 WeakPolarHBondContact O-CG2 3.35Å
160	E	98.3	Very high	98	Very high	108 Å²	108	61.8 Å²	61.8	51%	0.505	29%	0.292	S	S	.	.	H	α-helix	trans	-82.7	-23.7	177.6	-67.6	179.2	167.9	0	0	113.3	L108 L129 R156	L108-E160 HydrophobicContact CD2-CB 4.44Å; L108-E160 HydrophobicContact CD2-CG 3.69Å; L129-E160 HydrophobicContact CD1-CG 4.31Å; R156-E160 HydrophobicContact CG-CG 4.02Å; R156-E160 WeakPolarHBondContact CG-OE1 3.26Å; R156-E160 WeakPolarHBondContact O-CB 3.41Å; R156-E160 PolarHBondContact O-N 3.16Å
161	G	98.2	Very high	97.9	Very high	21 Å²	21	55 Å²	55	22%	0.216	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-98.5	-178.9	0	0	0	0	0	112.5	A157 Y158 C163 V164 E165	A157-G161 PolarHBondContact O-N 3.25Å; A157-G161 VanDerWaalsContact O-N 3.16Å; Y158-G161 CarbonylContact O-C 3.55Å; Y158-G161 PolarHBondContact O-N 3.01Å; G161-C163 VanDerWaalsContact C-N 3.25Å; G161-C163 PolarHBondContact O-N 3.35Å; G161-C163 VanDerWaalsContact O-N 3.13Å; G161-V164 PolarHBondContact O-N 3.29Å; G161-E165 WeakPolarHBondContact O-CG 3.41Å; G161-E165 PolarHBondContact O-N 3.24Å
162	L	97.7	Very high	97.8	Very high	102 Å²	102	59.5 Å²	59.5	53%	0.534	29%	0.286	S	S	.	.	H	α-helix	trans	-55.1	-36.8	-169.5	-70.2	175.4	0	0	0	113.5	Y158 E165 S166	Y158-L162 HydrophobicContact CD2-CB 3.93Å; Y158-L162 HydrophobicContact CD2-CD1 4.43Å; Y158-L162 HydrophobicContact CE2-CB 4.13Å; Y158-L162 PolarHBondContact O-N 3.32Å; L162-E165 PolarHBondContact O-N 3.32Å; L162-S166 VanDerWaalsContact O-CB 3.25Å; L162-S166 WeakPolarHBondContact O-CB 3.44Å; L162-S166 PolarHBondContact O-N 3.06Å; L162-S166 PolarHBondContact O-OG 2.92Å; L162-S166 VanDerWaalsContact O-OG 3.07Å
163	C	98.4	Very high	97.6	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-48.7	177.8	-169.6	0	0	0	0	111.6	M4 C100 Y158 G161 L167	M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.28Å; M4-C163 WeakPolarHBondContact CE-O 3.38Å; M4-C163 WeakPolarHBondContact CE-SG 3.49Å; C100-C163 HydrophobicContact CB-CB 3.94Å; C100-C163 WeakPolarHBondContact CB-SG 3.49Å; C100-C163 PolarHBondContact N-SG 2.87Å; C100-C163 WeakPolarHBondContact SG-CB 3.49Å; C100-C163 PolarHBondContact SG-O 2.88Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.11Å; Y158-C163 HydrophobicContact CD1-CB 4.22Å; Y158-C163 HydrophobicContact CE1-CB 3.76Å; Y158-C163 WeakPolarHBondContact O-CB 3.41Å; Y158-C163 PolarHBondContact O-N 2.88Å; G161-C163 VanDerWaalsContact C-N 3.25Å; G161-C163 PolarHBondContact O-N 3.35Å; G161-C163 VanDerWaalsContact O-N 3.13Å; C163-L167 WeakPolarHBondContact O-CB 3.21Å; C163-L167 PolarHBondContact O-N 3.47Å
164	V	98.4	Very high	97.4	Very high	9 Å²	9	57.1 Å²	57.1	6%	0.055	28%	0.276	C	S	.	.	H	α-helix	trans	-65.1	-43.2	179.1	173.4	0	0	0	0	110.9	L102 L108 L159 G161 R168	L102-V164 HydrophobicContact CD1-CG1 4.42Å; L102-V164 HydrophobicContact CD2-CB 4.17Å; L102-V164 HydrophobicContact CD2-CG1 3.83Å; L102-V164 HydrophobicContact CD2-CG2 3.73Å; L108-V164 HydrophobicContact CB-CG2 4Å; L108-V164 HydrophobicContact CD1-CG2 3.98Å; L108-V164 HydrophobicContact CG-CG2 4.49Å; L159-V164 WeakPolarHBondContact O-CG2 3.35Å; G161-V164 PolarHBondContact O-N 3.29Å; V164-R168 WeakPolarHBondContact O-CG 3.36Å; V164-R168 PolarHBondContact O-N 2.85Å
165	E	98.2	Very high	97.1	Very high	119 Å²	119	55.8 Å²	55.8	56%	0.556	27%	0.268	S	S	*	.	H	α-helix	trans	-62.5	-47.7	178.2	-69.5	174.9	-177.1	0	0	112	G161 L162 R168 R169	G161-E165 WeakPolarHBondContact O-CG 3.41Å; G161-E165 PolarHBondContact O-N 3.24Å; L162-E165 PolarHBondContact O-N 3.32Å; E165-R168 PolarHBondContact O-N 3.14Å; E165-R169 WeakPolarHBondContact O-CB 3.5Å; E165-R169 PolarHBondContact O-N 3.33Å
166	S	97.7	Very high	96.6	Very high	30 Å²	30	62 Å²	62	21%	0.21	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-46.1	177.1	-69.5	0	0	0	0	111.8	L162 R168 R169 Y170	L162-S166 VanDerWaalsContact O-CB 3.25Å; L162-S166 WeakPolarHBondContact O-CB 3.44Å; L162-S166 PolarHBondContact O-N 3.06Å; L162-S166 PolarHBondContact O-OG 2.92Å; L162-S166 VanDerWaalsContact O-OG 3.07Å; S166-R168 PolarHBondContact O-N 3.14Å; S166-R169 WeakPolarHBondContact O-CB 3.25Å; S166-R169 PolarHBondContact O-N 2.99Å; S166-Y170 VanDerWaalsContact O-CD2 3.23Å; S166-Y170 WeakPolarHBondContact O-CD2 3.48Å; S166-Y170 PolarHBondContact O-N 2.74Å
167	L	98.3	Very high	96	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-43	179.1	176.5	50.9	0	0	0	111.7	H2 M4 V27 L102 C163 R169 Y170 L171	H2-L167 HydrophobicContact CB-CD1 4.37Å; M4-L167 HydrophobicContact CB-CB 4.09Å; M4-L167 HydrophobicContact CB-CD1 4.08Å; M4-L167 HydrophobicContact CB-CD2 4Å; M4-L167 HydrophobicContact CB-CG 4.28Å; M4-L167 HydrophobicContact CE-CB 4.47Å; M4-L167 HydrophobicContact SD-CB 4.48Å; V27-L167 HydrophobicContact CG1-CD1 3.65Å; V27-L167 HydrophobicContact CG2-CD1 4.28Å; L102-L167 HydrophobicContact CB-CD2 4.46Å; L102-L167 HydrophobicContact CD1-CB 4.22Å; L102-L167 HydrophobicContact CD1-CD2 3.7Å; L102-L167 HydrophobicContact CD1-CG 3.79Å; L102-L167 HydrophobicContact CG-CD2 3.6Å; L102-L167 HydrophobicContact CG-CG 4.28Å; C163-L167 WeakPolarHBondContact O-CB 3.21Å; C163-L167 PolarHBondContact O-N 3.47Å; L167-R169 PolarHBondContact O-N 3.02Å; L167-Y170 PolarHBondContact O-N 2.9Å; L167-L171 HydrophobicContact CD1-CD1 3.81Å; L167-L171 HydrophobicContact CD1-CD2 4.43Å; L167-L171 HydrophobicContact CD1-CG 3.85Å; L167-L171 HydrophobicContact CG-CD1 3.99Å; L167-L171 HydrophobicContact CG-CG 4.49Å; L167-L171 WeakPolarHBondContact O-CB 3.46Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.45Å; L167-L171 PolarHBondContact O-N 2.93Å
168	R	97.2	Very high	95.4	Very high	126 Å²	126	59.7 Å²	59.7	48%	0.475	29%	0.285	S	S	.	.	H	α-helix	trans	-60.2	-44.7	174.3	-73	174.4	-179.1	171.9	0.5	112.2	L102 G106 V164 E165 S166 L171 E172	L102-R168 HydrophobicContact CD1-CG 4.01Å; G106-R168 VanDerWaalsContact O-CZ 3.32Å; G106-R168 PolarHBondContact O-NE 3.39Å; G106-R168 VanDerWaalsContact O-NE 3.09Å; G106-R168 PolarHBondContact O-NH2 3.38Å; V164-R168 WeakPolarHBondContact O-CG 3.36Å; V164-R168 PolarHBondContact O-N 2.85Å; E165-R168 PolarHBondContact O-N 3.14Å; S166-R168 PolarHBondContact O-N 3.14Å; R168-L171 PolarHBondContact O-N 2.92Å; R168-E172 PolarHBondContact O-N 3.06Å; R168-E172 VanDerWaalsContact O-N 3.12Å
169	R	96.6	Very high	94.6	Very high	130 Å²	130	60.7 Å²	60.7	49%	0.491	29%	0.292	S	S	.	.	H	α-helix	trans	-59.6	-46.5	176.5	176.2	-178.7	175.5	123.4	-1.6	111.4	E54 E165 S166 L167 E172 N173	E54-R169 IonicContact OE1-CZ 2.91Å; E54-R169 VanDerWaalsContact OE1-CZ 3.3Å; E54-R169 IonicContact OE1-NE 3.92Å; E54-R169 PolarHBondContact OE1-NE 2.9Å; E54-R169 IonicContact OE1-NH2 3.52Å; E54-R169 PolarHBondContact OE1-NH2 3.11Å; E54-R169 VanDerWaalsContact OE1-NH2 3.08Å; E54-R169 IonicContact OE2-CZ 3.54Å; E54-R169 IonicContact OE2-NE 3.59Å; E54-R169 IonicContact OE2-NH2 2.79Å; E54-R169 PolarHBondContact OE2-NH2 3.2Å; E165-R169 WeakPolarHBondContact O-CB 3.5Å; E165-R169 PolarHBondContact O-N 3.33Å; S166-R169 WeakPolarHBondContact O-CB 3.25Å; S166-R169 PolarHBondContact O-N 2.99Å; L167-R169 PolarHBondContact O-N 3.02Å; R169-E172 PolarHBondContact O-N 3.25Å; R169-N173 PolarHBondContact O-N 3.28Å; R169-N173 PolarHBondContact O-OD1 2.97Å
170	Y	96.9	Very high	93.3	Very high	4 Å²	4	69.8 Å²	69.8	2%	0.016	33%	0.326	C	S	.	.	H	α-helix	trans	-68.9	-35.6	-178.6	-60.4	-26	0	0	0	113	M4 V27 F32 W50 I51 Y58 S166 L167 E172 N173 G174	M4-Y170 HydrophobicContact SD-CD2 3.82Å; M4-Y170 HydrophobicContact SD-CE2 3.72Å; V27-Y170 HydrophobicContact CG2-CD2 4Å; V27-Y170 HydrophobicContact CG2-CG 4.48Å; F32-Y170 HydrophobicContact CE2-CD2 4.18Å; F32-Y170 AromaticContact CE2-CE2 3.74Å; F32-Y170 HydrophobicContact CE2-CE2 3.74Å; F32-Y170 HydrophobicContact CZ-CD2 4.23Å; F32-Y170 AromaticContact CZ-CE2 3.87Å; F32-Y170 HydrophobicContact CZ-CE2 3.87Å; W50-Y170 HydrophobicContact CH2-CG 4.25Å; W50-Y170 AromaticContact CZ3-CD1 3.88Å; W50-Y170 HydrophobicContact CZ3-CD1 3.88Å; W50-Y170 HydrophobicContact CZ3-CD2 4.38Å; W50-Y170 AromaticContact CZ3-CG 3.69Å; W50-Y170 HydrophobicContact CZ3-CG 3.69Å; I51-Y170 HydrophobicContact CD1-CD1 3.73Å; I51-Y170 HydrophobicContact CD1-CE1 3.35Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.42Å; Y58-Y170 PolarHBondContact OH-OH 3.03Å; S166-Y170 VanDerWaalsContact O-CD2 3.23Å; S166-Y170 WeakPolarHBondContact O-CD2 3.48Å; S166-Y170 PolarHBondContact O-N 2.74Å; L167-Y170 PolarHBondContact O-N 2.9Å; Y170-E172 VanDerWaalsContact C-N 3.31Å; Y170-E172 PolarHBondContact O-N 3.1Å; Y170-N173 PolarHBondContact O-N 3.12Å; Y170-G174 PolarHBondContact O-N 3.42Å
171	L	96.4	Very high	91.1	Very high	13 Å²	13	72.9 Å²	72.9	7%	0.068	37%	0.37	C	S	.	.	H	α-helix	trans	-64.3	-35.3	172.9	-73.3	169	0	0	0	112.6	H2 V27 L167 R168 K175 L178 Q179	H2-L171 HydrophobicContact CB-CD1 3.65Å; H2-L171 HydrophobicContact CB-CD2 4.02Å; H2-L171 HydrophobicContact CB-CG 4.4Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.48Å; V27-L171 HydrophobicContact CG1-CD2 4.11Å; L167-L171 HydrophobicContact CD1-CD1 3.81Å; L167-L171 HydrophobicContact CD1-CD2 4.43Å; L167-L171 HydrophobicContact CD1-CG 3.85Å; L167-L171 HydrophobicContact CG-CD1 3.99Å; L167-L171 HydrophobicContact CG-CG 4.49Å; L167-L171 WeakPolarHBondContact O-CB 3.46Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.45Å; L167-L171 PolarHBondContact O-N 2.93Å; R168-L171 PolarHBondContact O-N 2.92Å; L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.42Å; L171-K175 WeakPolarHBondContact O-CB 3.45Å; L171-K175 PolarHBondContact O-N 3.39Å; L171-K175 VanDerWaalsContact O-N 3.08Å; L171-L178 HydrophobicContact CD2-CB 4.32Å; L171-L178 HydrophobicContact CD2-CD1 4.33Å; L171-Q179 PolarHBondContact O-NE2 2.84Å
172	E	95.4	Very high	90.8	Very high	121 Å²	121	75.5 Å²	75.5	57%	0.565	38%	0.378	S	S	*	.	H	α-helix	trans	-72.5	-47.4	174.5	-171.4	59.5	-154.6	0	0	111.2	R168 R169 Y170 G174 K175	R168-E172 PolarHBondContact O-N 3.06Å; R168-E172 VanDerWaalsContact O-N 3.12Å; R169-E172 PolarHBondContact O-N 3.25Å; Y170-E172 VanDerWaalsContact C-N 3.31Å; Y170-E172 PolarHBondContact O-N 3.1Å; E172-G174 VanDerWaalsContact C-N 3.3Å; E172-G174 PolarHBondContact O-N 3.26Å; E172-K175 WeakPolarHBondContact O-CB 3.33Å; E172-K175 PolarHBondContact O-N 2.72Å
173	N	94.4	Very high	90.4	Very high	44 Å²	44	74.1 Å²	74.1	24%	0.235	37%	0.37	C	S	.	.	H	α-helix	trans	-59.4	-42.2	178	-63.2	-7.2	0	0	0	111.9	W50 Q53 R169 Y170	W50-N173 HydrophobicContact CB-CB 4.39Å; Q53-N173 PolarHBondContact NE2-ND2 3.08Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.13Å; Q53-N173 PolarHBondContact NE2-OD1 3.24Å; R169-N173 PolarHBondContact O-N 3.28Å; R169-N173 PolarHBondContact O-OD1 2.97Å; Y170-N173 PolarHBondContact O-N 3.12Å
174	G	93.6	Very high	90	Very high	2 Å²	2	78.2 Å²	78.2	2%	0.021	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	12.8	-176.6	0	0	0	0	0	114.3	Y170 E172 E176 T177 L178	Y170-G174 PolarHBondContact O-N 3.42Å; E172-G174 VanDerWaalsContact C-N 3.3Å; E172-G174 PolarHBondContact O-N 3.26Å; G174-E176 PolarHBondContact O-N 3.13Å; G174-E176 VanDerWaalsContact O-N 3.1Å; G174-T177 WeakPolarHBondContact O-CA 3.34Å; G174-T177 PolarHBondContact O-N 3.07Å; G174-T177 PolarHBondContact O-OG1 3.33Å; G174-L178 PolarHBondContact O-N 3.1Å
175	K	91.9	Very high	89.5	Confident	103 Å²	103	82.3 Å²	82.3	45%	0.448	41%	0.41	S	S	.	.	H	α-helix	trans	-49.7	-41.9	-170.6	-175.9	174.7	-173.8	173.1	0	113.8	L171 E172 T177 Q179	L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.42Å; L171-K175 WeakPolarHBondContact O-CB 3.45Å; L171-K175 PolarHBondContact O-N 3.39Å; L171-K175 VanDerWaalsContact O-N 3.08Å; E172-K175 WeakPolarHBondContact O-CB 3.33Å; E172-K175 PolarHBondContact O-N 2.72Å; K175-T177 PolarHBondContact O-N 3.36Å; K175-Q179 WeakPolarHBondContact O-CB 3.45Å; K175-Q179 PolarHBondContact O-N 3.36Å
176	E	87.3	Confident	88.9	Confident	153 Å²	153	80 Å²	80	72%	0.715	40%	0.401	S	S	*	.	H	α-helix	trans	-66.3	-17.4	179.3	-64.8	-170	172.3	0	0	114	G174 R180	G174-E176 PolarHBondContact O-N 3.13Å; G174-E176 VanDerWaalsContact O-N 3.1Å; E176-R180 VanDerWaalsContact O-CD 3.31Å; E176-R180 WeakPolarHBondContact O-CD 3.34Å; E176-R180 VanDerWaalsContact O-CG 3.29Å; E176-R180 WeakPolarHBondContact O-CG 3.32Å; E176-R180 PolarHBondContact O-NE 2.99Å; E176-R180 PolarHBondContact O-NH2 3.47Å
177	T	86.3	Confident	88.4	Confident	85 Å²	85	83.3 Å²	83.3	52%	0.521	41%	0.414	S	S	.	.	H	α-helix	trans	-114	-42.5	-177.8	55.3	0	0	0	0	112.8	G174 K175	G174-T177 WeakPolarHBondContact O-CA 3.34Å; G174-T177 PolarHBondContact O-N 3.07Å; G174-T177 PolarHBondContact O-OG1 3.33Å; K175-T177 PolarHBondContact O-N 3.36Å
178	L	85.4	Confident	87.7	Confident	18 Å²	18	89.3 Å²	89.3	9%	0.094	44%	0.443	C	S	.	.	H	α-helix	trans	-83.2	-22.7	-173.8	-62.5	172.8	0	0	0	113.4	V27 T30 W50 L171 G174	V27-L178 HydrophobicContact CB-CD1 4.39Å; V27-L178 HydrophobicContact CG1-CD1 3.84Å; V27-L178 HydrophobicContact CG1-CD2 4.32Å; T30-L178 HydrophobicContact CG2-CD2 4.22Å; W50-L178 HydrophobicContact CZ2-CD1 3.93Å; W50-L178 HydrophobicContact CZ2-CD2 4.34Å; L171-L178 HydrophobicContact CD2-CB 4.32Å; L171-L178 HydrophobicContact CD2-CD1 4.33Å; G174-L178 PolarHBondContact O-N 3.1Å
179	Q	81.1	Confident	86.9	Confident	84 Å²	84	86.5 Å²	86.5	39%	0.393	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	18.4	-177.1	-58.3	-179	14.5	0	0	112.8	L171 K175 A181	L171-Q179 PolarHBondContact O-NE2 2.84Å; K175-Q179 WeakPolarHBondContact O-CB 3.45Å; K175-Q179 PolarHBondContact O-N 3.36Å; Q179-A181 PolarHBondContact O-N 2.86Å
180	R	72.6	Confident	86.1	Confident	193 Å²	193	82.8 Å²	82.8	73%	0.728	44%	0.437	S	S	*	.			trans	-75.2	108.4	168.2	-71.9	-170.5	-176.9	-174.2	6.9	108.5	E176	E176-R180 VanDerWaalsContact O-CD 3.31Å; E176-R180 WeakPolarHBondContact O-CD 3.34Å; E176-R180 VanDerWaalsContact O-CG 3.29Å; E176-R180 WeakPolarHBondContact O-CG 3.32Å; E176-R180 PolarHBondContact O-NE 2.99Å; E176-R180 PolarHBondContact O-NH2 3.47Å
181	A	52.3	Low	85.1	Confident	174 Å²	174	90 Å²	90	100%	1.438	48%	0.475	S	S	*	.			trans	-71.6	0	165.3	0	0	0	0	0	110.9	Q179	Q179-A181 PolarHBondContact O-N 2.86Å

Retrieved 181 of 181 residues in 152.7 ms (Link to these results)

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