RAP1B_PANTR Loading...

Ras-related protein Rap-1b

GTP-binding protein that possesses intrinsic GTPase activity. Contributes to the polarizing activity of KRIT1 and CDH5 in the establishment and maintenance of correct endothelial cell polarity and vascular lumen. Required for the localization of phosphorylated PRKCZ, PARD3 and TIAM1 to the cell junction. Plays a role in the establishment of basal endothelial barrier function (By similarity).

AlphaFold DB , UniProt , Accession A5A6J7, Species PANTR (Pan troglodytes, Chimpanzee), Gene RAP1B, Length 184 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	86.6	Confident	96.6	Very high	117 Å²	117	34.2 Å²	34.2	58%	0.576	16%	0.157	S	C	*	.				0	141.4	0	178.9	159.6	72	0	0	108.1	Q43 Q50 C51 M52	M1-Q43 HydrophobicContact CE-CB 4.26Å; M1-Q43 HydrophobicContact CE-CG 3.7Å; M1-Q43 HydrophobicContact SD-CG 3.89Å; M1-Q43 PolarHBondContact SD-NE2 3.35Å; M1-Q50 WeakPolarHBondContact CG-O 3.47Å; M1-Q50 HydrophobicContact SD-CB 3.91Å; M1-C51 VanDerWaalsContact CG-CA 3.45Å; M1-C51 VanDerWaalsContact SD-C 3.52Å; M1-M52 HydrophobicContact CE-CB 3.76Å; M1-M52 HydrophobicContact CE-CE 3.77Å
2	R	94.2	Very high	96.4	Very high	58 Å²	58	33.1 Å²	33.1	22%	0.219	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	136.9	178.9	-177.9	170.3	174.9	173.3	12.5	110	Y4 C51 M52 N166 T169 V171	R2-Y4 HydrophobicContact CB-CE2 4.03Å; R2-Y4 WeakPolarHBondContact CD-OH 3.31Å; R2-Y4 HydrophobicContact CG-CD2 4.33Å; R2-Y4 HydrophobicContact CG-CE2 3.68Å; R2-C51 WeakPolarHBondContact O-CA 3.08Å; R2-C51 WeakPolarHBondContact O-CB 3.35Å; R2-M52 PolarHBondContact O-N 3.37Å; R2-N166 PolarHBondContact NH1-OD1 3.42Å; R2-T169 VanDerWaalsContact CZ-O 3.26Å; R2-T169 PolarHBondContact NH1-O 2.86Å; R2-T169 PolarHBondContact NH2-O 3.4Å; R2-V171 VanDerWaalsContact NH1-CG2 3.27Å
3	E	97	Very high	96.3	Very high	95 Å²	95	32.5 Å²	32.5	44%	0.444	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	143.6	176.4	-50.2	-163.7	146.5	0	0	110.3	R41 M52	E3-R41 IonicContact OE1-NH2 4Å; E3-R41 PolarHBondContact OE1-NH2 2.94Å; E3-R41 IonicContact OE2-NH2 3.68Å; E3-M52 CarbonylContact C-O 3.59Å; E3-M52 VanDerWaalsContact CA-O 3.31Å; E3-M52 WeakPolarHBondContact CA-O 3.38Å; E3-M52 HydrophobicContact CB-CB 4.45Å; E3-M52 HydrophobicContact CG-CB 4.07Å
4	Y	98.5	Very high	96.4	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.016	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127	178.3	-59.5	-101.6	0	0	0	109.3	R2 C51 M52 L53 E54 V162 I165 N166	R2-Y4 HydrophobicContact CB-CE2 4.03Å; R2-Y4 WeakPolarHBondContact CD-OH 3.31Å; R2-Y4 HydrophobicContact CG-CD2 4.33Å; R2-Y4 HydrophobicContact CG-CE2 3.68Å; Y4-C51 HydrophobicContact CD2-CB 3.8Å; Y4-C51 HydrophobicContact CE2-CB 3.35Å; Y4-M52 PolarHBondContact N-O 3.49Å; Y4-L53 HydrophobicContact CD2-CD2 3.89Å; Y4-L53 HydrophobicContact CG-CD2 4.09Å; Y4-E54 PolarHBondContact O-N 2.86Å; Y4-V162 HydrophobicContact CD1-CG1 4.39Å; Y4-V162 HydrophobicContact CD1-CG2 4.38Å; Y4-V162 HydrophobicContact CE1-CG1 3.9Å; Y4-V162 HydrophobicContact CE2-CG1 4.21Å; Y4-V162 HydrophobicContact CG-CG2 4.27Å; Y4-I165 HydrophobicContact CD1-CB 4.04Å; Y4-I165 HydrophobicContact CD1-CD1 3.85Å; Y4-I165 HydrophobicContact CD1-CG2 3.76Å; Y4-I165 HydrophobicContact CE1-CB 4.15Å; Y4-I165 HydrophobicContact CE1-CG2 3.84Å; Y4-N166 VanDerWaalsContact OH-CG 3.28Å; Y4-N166 PolarHBondContact OH-ND2 3.34Å; Y4-N166 PolarHBondContact OH-OD1 3.23Å
5	K	98.6	Very high	96.5	Very high	85 Å²	85	29.2 Å²	29.2	37%	0.37	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	108.8	176.7	-60	-170.1	176.6	-161.7	0	109.6	E54 Q76 G77	K5-E54 CarbonylContact C-O 3.49Å; K5-E54 WeakPolarHBondContact CA-O 3.28Å; K5-E54 VanDerWaalsContact CE-OE2 3.28Å; K5-E54 WeakPolarHBondContact CE-OE2 3.36Å; K5-E54 HydrophobicContact CG-CB 4.5Å; K5-E54 IonicContact NZ-OE2 3.91Å; K5-Q76 HydrophobicContact CB-CG 4.36Å; K5-Q76 WeakPolarHBondContact O-CA 3.29Å; K5-Q76 WeakPolarHBondContact O-CB 3.49Å; K5-Q76 PolarHBondContact O-N 3Å; K5-G77 PolarHBondContact O-N 3.16Å
6	L	98.8	Very high	96.6	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	142.2	-179.8	-53.4	-177.2	0	0	0	109.2	L53 E54 I55 L56 G77 F158 L161 I165	L6-L53 HydrophobicContact CD1-CD1 4.03Å; L6-L53 HydrophobicContact CD1-CD2 4.42Å; L6-E54 PolarHBondContact N-O 2.96Å; L6-I55 HydrophobicContact CB-CG1 4.33Å; L6-I55 HydrophobicContact CD1-CG1 4.48Å; L6-I55 WeakPolarHBondContact O-CA 3.47Å; L6-L56 PolarHBondContact O-N 3.34Å; L6-G77 CarbonylContact C-O 3.37Å; L6-G77 WeakPolarHBondContact CA-O 2.96Å; L6-F158 HydrophobicContact CD1-CB 4.22Å; L6-F158 HydrophobicContact CD1-CD1 3.87Å; L6-L161 HydrophobicContact CD1-CB 4.39Å; L6-L161 HydrophobicContact CD1-CD1 4.41Å; L6-L161 HydrophobicContact CD2-CB 3.86Å; L6-L161 HydrophobicContact CD2-CD1 4.18Å; L6-I165 HydrophobicContact CD2-CD1 3.7Å
7	V	98.5	Very high	96.7	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.024	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	130.3	178.6	-170.5	0	0	0	0	109	L9 L56 T58 Y71 G77 F78 A79	V7-L9 HydrophobicContact CG1-CD1 4.17Å; V7-L9 HydrophobicContact CG1-CD2 4.15Å; V7-L9 HydrophobicContact CG1-CG 3.92Å; V7-L56 HydrophobicContact CG1-CB 4.38Å; V7-L56 HydrophobicContact CG1-CD2 4.32Å; V7-L56 HydrophobicContact CG2-CB 4.38Å; V7-T58 HydrophobicContact CG1-CG2 3.81Å; V7-Y71 HydrophobicContact CG1-CD2 3.9Å; V7-Y71 HydrophobicContact CG1-CE2 4.41Å; V7-Y71 HydrophobicContact CG1-CG 4.4Å; V7-G77 PolarHBondContact N-O 3.17Å; V7-F78 HydrophobicContact CB-CD1 3.85Å; V7-F78 HydrophobicContact CB-CE1 3.99Å; V7-F78 HydrophobicContact CG2-CD1 4.29Å; V7-F78 HydrophobicContact CG2-CE1 3.93Å; V7-F78 WeakPolarHBondContact O-CA 3.49Å; V7-A79 PolarHBondContact O-N 3.34Å
8	V	98.6	Very high	96.8	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120	177.4	-169.7	0	0	0	0	108.9	K16 I55 L56 T58 A79 V81 F158	V8-K16 HydrophobicContact CB-CB 4.49Å; V8-K16 HydrophobicContact CG1-CB 3.69Å; V8-K16 HydrophobicContact CG1-CD 4.34Å; V8-K16 HydrophobicContact CG1-CG 3.98Å; V8-I55 HydrophobicContact CG2-CG2 3.8Å; V8-L56 PolarHBondContact N-O 3.01Å; V8-T58 PolarHBondContact O-OG1 3.01Å; V8-A79 HydrophobicContact CG1-CB 4.42Å; V8-A79 HydrophobicContact CG2-CB 4.5Å; V8-V81 HydrophobicContact CG1-CG2 3.66Å; V8-F158 HydrophobicContact CG2-CE1 4.06Å; V8-F158 HydrophobicContact CG2-CZ 4.46Å
9	L	97.5	Very high	96.9	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.016	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	156.4	-172.6	-67.1	162.7	0	0	0	110.9	V7 K16 T58 Y71 M72 F78 A79 V81 L96 I100	V7-L9 HydrophobicContact CG1-CD1 4.17Å; V7-L9 HydrophobicContact CG1-CD2 4.15Å; V7-L9 HydrophobicContact CG1-CG 3.92Å; L9-K16 VanDerWaalsContact C-CD 3.49Å; L9-T58 HydrophobicContact CD2-CG2 4.03Å; L9-T58 WeakPolarHBondContact CD2-OG1 3.38Å; L9-Y71 HydrophobicContact CD1-CE2 4.41Å; L9-Y71 HydrophobicContact CD2-CD2 4.35Å; L9-Y71 HydrophobicContact CD2-CE2 3.45Å; L9-Y71 VanDerWaalsContact CD2-CE2 3.45Å; L9-Y71 HydrophobicContact CG-CE2 4.49Å; L9-M72 HydrophobicContact CD1-CE 4.19Å; L9-F78 HydrophobicContact CD1-CD1 3.9Å; L9-A79 PolarHBondContact N-O 3.44Å; L9-V81 PolarHBondContact O-N 3.36Å; L9-L96 HydrophobicContact CB-CD1 4.16Å; L9-I100 HydrophobicContact CD1-CD1 3.75Å; L9-I100 HydrophobicContact CD1-CG1 4.29Å
10	G	97.6	Very high	97	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.01	14%	0.142	C	C	.	.			trans	145.3	166.8	-178	0	0	0	0	0	111.9	K16 T61 V81	G10-K16 PolarHBondContact O-NZ 3.43Å; G10-T61 PolarHBondContact O-N 3.37Å; G10-V81 WeakPolarHBondContact CA-O 3.3Å
11	S	96.4	Very high	97	Very high	5 Å²	5	25 Å²	25	4%	0.035	14%	0.141	C	C	.	.	S	Bend	trans	-60.1	166.2	-175.8	-37.8	0	0	0	0	113.4	V14 K16 T61 D92	S11-V14 WeakPolarHBondContact O-CG1 3.28Å; S11-V14 VanDerWaalsContact O-CG2 3.3Å; S11-V14 WeakPolarHBondContact O-CG2 3.35Å; S11-K16 PolarHBondContact O-NZ 3.5Å; S11-K16 VanDerWaalsContact O-NZ 3.09Å; S11-T61 VanDerWaalsContact CA-OG1 3.27Å; S11-T61 WeakPolarHBondContact CA-OG1 3.44Å; S11-T61 PolarHBondContact OG-OG1 3.43Å; S11-D92 PolarHBondContact OG-OD2 2.93Å
12	G	94.6	Very high	97.6	Very high	21 Å²	21	20 Å²	20	22%	0.216	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	142	170.1	0	0	0	0	0	112.3	V14 E62	G12-V14 VanDerWaalsContact C-N 3.25Å; G12-V14 PolarHBondContact O-N 2.86Å; G12-V14 VanDerWaalsContact O-N 3.11Å; G12-E62 VanDerWaalsContact CA-OE1 3.32Å; G12-E62 WeakPolarHBondContact CA-OE1 3.41Å; G12-E62 PolarHBondContact N-OE1 3.4Å; G12-E62 PolarHBondContact N-OE2 2.96Å
13	G	95.1	Very high	97.8	Very high	26 Å²	26	17.3 Å²	17.3	27%	0.268	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	2.2	172.8	0	0	0	0	0	117.3	G15 Y32 K117	G13-G15 PolarHBondContact O-N 2.86Å; G13-Y32 PolarHBondContact N-OH 2.93Å; G13-K117 VanDerWaalsContact O-CE 3.26Å; G13-K117 WeakPolarHBondContact O-CE 3.33Å; G13-K117 PolarHBondContact O-NZ 3.11Å
14	V	97.7	Very high	97.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-69.7	-17.5	177.6	-58.2	0	0	0	0	113.6	S11 G12 K16 V81 T89 N116	S11-V14 WeakPolarHBondContact O-CG1 3.28Å; S11-V14 VanDerWaalsContact O-CG2 3.3Å; S11-V14 WeakPolarHBondContact O-CG2 3.35Å; G12-V14 VanDerWaalsContact C-N 3.25Å; G12-V14 PolarHBondContact O-N 2.86Å; G12-V14 VanDerWaalsContact O-N 3.11Å; V14-K16 HydrophobicContact CG2-CD 4.22Å; V14-K16 HydrophobicContact CG2-CG 3.49Å; V14-K16 VanDerWaalsContact CG2-CG 3.49Å; V14-V81 HydrophobicContact CB-CG1 4.24Å; V14-V81 HydrophobicContact CG2-CB 3.96Å; V14-V81 HydrophobicContact CG2-CG1 3.86Å; V14-V81 WeakPolarHBondContact CG2-O 3.29Å; V14-T89 HydrophobicContact CG1-CG2 3.73Å; V14-N116 PolarHBondContact O-ND2 2.77Å
15	G	98.2	Very high	97.7	Very high	15 Å²	15	19.3 Å²	19.3	16%	0.155	12%	0.117	C	C	.	.	S	Bend	trans	99.2	28.1	177.6	0	0	0	0	0	115.5	G13 A18 L19	G13-G15 PolarHBondContact O-N 2.86Å; G15-A18 PolarHBondContact O-N 2.7Å; G15-L19 WeakPolarHBondContact O-CG 3.43Å; G15-L19 PolarHBondContact O-N 2.87Å
16	K	98.1	Very high	97.6	Very high	11 Å²	11	16.9 Å²	16.9	5%	0.048	12%	0.116	C	C	.	.	H	α-helix	trans	-54	-52.2	175	-54.4	-171.7	-62.9	-79.3	0	112.3	V8 L9 G10 S11 V14 A18 L19 T20 D57 T58 A59 V81	V8-K16 HydrophobicContact CB-CB 4.49Å; V8-K16 HydrophobicContact CG1-CB 3.69Å; V8-K16 HydrophobicContact CG1-CD 4.34Å; V8-K16 HydrophobicContact CG1-CG 3.98Å; L9-K16 VanDerWaalsContact C-CD 3.49Å; G10-K16 PolarHBondContact O-NZ 3.43Å; S11-K16 PolarHBondContact O-NZ 3.5Å; S11-K16 VanDerWaalsContact O-NZ 3.09Å; V14-K16 HydrophobicContact CG2-CD 4.22Å; V14-K16 HydrophobicContact CG2-CG 3.49Å; V14-K16 VanDerWaalsContact CG2-CG 3.49Å; K16-A18 PolarHBondContact O-N 2.74Å; K16-L19 PolarHBondContact O-N 2.86Å; K16-T20 PolarHBondContact O-N 2.87Å; K16-T20 PolarHBondContact O-OG1 3.43Å; K16-D57 VanDerWaalsContact CB-OD1 3.28Å; K16-D57 WeakPolarHBondContact CB-OD1 3.33Å; K16-T58 WeakPolarHBondContact CE-O 3.49Å; K16-A59 WeakPolarHBondContact CE-O 3.45Å; K16-A59 PolarHBondContact NZ-O 3.18Å; K16-V81 HydrophobicContact CG-CB 4.37Å
17	S	97.6	Very high	97.5	Very high	30 Å²	30	20.6 Å²	20.6	21%	0.21	14%	0.136	C	C	.	.	H	α-helix	trans	-65.6	-39.9	178.2	-39.7	0	0	0	0	112	L19 T20 V21 T35 D57	S17-L19 PolarHBondContact O-N 3.5Å; S17-T20 PolarHBondContact O-N 3.36Å; S17-V21 WeakPolarHBondContact O-CB 3.42Å; S17-V21 VanDerWaalsContact O-CG2 3.31Å; S17-V21 WeakPolarHBondContact O-CG2 3.41Å; S17-V21 PolarHBondContact O-N 3.3Å; S17-T35 PolarHBondContact OG-OG1 3.18Å; S17-D57 WeakPolarHBondContact CA-OD2 3.4Å; S17-D57 WeakPolarHBondContact CB-OD2 3.47Å; S17-D57 PolarHBondContact N-OD1 2.94Å; S17-D57 PolarHBondContact OG-OD2 3.23Å
18	A	98.3	Very high	97.4	Very high	23 Å²	23	23.8 Å²	23.8	19%	0.19	15%	0.149	C	C	.	.	H	α-helix	trans	-62.5	-42.3	176.6	0	0	0	0	0	111.9	G15 K16 Q22 F28 A148	G15-A18 PolarHBondContact O-N 2.7Å; K16-A18 PolarHBondContact O-N 2.74Å; A18-Q22 WeakPolarHBondContact O-CB 3.37Å; A18-Q22 PolarHBondContact O-N 3.28Å; A18-F28 HydrophobicContact CB-CD2 4.17Å; A18-F28 HydrophobicContact CB-CE2 3.92Å; A18-A148 HydrophobicContact CB-CB 3.65Å
19	L	98.8	Very high	97	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-63.8	-46	173.6	-74.2	170.5	0	0	0	111.4	G15 K16 S17 Q22 F23 V81 V114 N116 A148 V154 I157	G15-L19 WeakPolarHBondContact O-CG 3.43Å; G15-L19 PolarHBondContact O-N 2.87Å; K16-L19 PolarHBondContact O-N 2.86Å; S17-L19 PolarHBondContact O-N 3.5Å; L19-Q22 PolarHBondContact O-N 2.93Å; L19-F23 WeakPolarHBondContact O-CB 3.31Å; L19-F23 PolarHBondContact O-N 3.38Å; L19-V81 HydrophobicContact CD1-CG1 3.9Å; L19-V81 HydrophobicContact CD1-CG2 4.17Å; L19-V114 HydrophobicContact CD1-CG1 4.19Å; L19-N116 HydrophobicContact CD1-CB 4.2Å; L19-A148 HydrophobicContact CD2-CB 3.97Å; L19-A148 HydrophobicContact CG-CB 4.2Å; L19-V154 HydrophobicContact CD2-CG2 4.06Å; L19-I157 HydrophobicContact CD1-CD1 4.31Å; L19-I157 HydrophobicContact CD2-CD1 4.17Å
20	T	98.5	Very high	96.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.6	-48	-178.7	-57.4	0	0	0	0	111.9	K16 S17 F23 V24 Y40 I55 D57	K16-T20 PolarHBondContact O-N 2.87Å; K16-T20 PolarHBondContact O-OG1 3.43Å; S17-T20 PolarHBondContact O-N 3.36Å; T20-F23 PolarHBondContact O-N 3.24Å; T20-V24 HydrophobicContact CG2-CG2 4.31Å; T20-V24 WeakPolarHBondContact O-CB 3.43Å; T20-V24 WeakPolarHBondContact O-CG2 3.4Å; T20-V24 PolarHBondContact O-N 2.97Å; T20-Y40 HydrophobicContact CG2-CD2 3.41Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.41Å; T20-Y40 HydrophobicContact CG2-CE2 3.86Å; T20-Y40 HydrophobicContact CG2-CG 3.92Å; T20-I55 HydrophobicContact CG2-CB 4.31Å; T20-I55 HydrophobicContact CG2-CG2 3.72Å; T20-D57 HydrophobicContact CG2-CB 4.4Å
21	V	97.6	Very high	96.1	Very high	20 Å²	20	43.3 Å²	43.3	12%	0.121	24%	0.243	C	C	.	.	H	α-helix	trans	-66.8	-41.5	177.5	173	0	0	0	0	111.1	S17 F23 V24 Q25 G26 I27 Y40	S17-V21 WeakPolarHBondContact O-CB 3.42Å; S17-V21 VanDerWaalsContact O-CG2 3.31Å; S17-V21 WeakPolarHBondContact O-CG2 3.41Å; S17-V21 PolarHBondContact O-N 3.3Å; V21-F23 VanDerWaalsContact C-N 3.27Å; V21-F23 PolarHBondContact O-N 2.95Å; V21-V24 PolarHBondContact O-N 3.15Å; V21-Q25 HydrophobicContact CG1-CB 4.35Å; V21-Q25 WeakPolarHBondContact O-CA 3.35Å; V21-Q25 WeakPolarHBondContact O-CB 3.37Å; V21-Q25 PolarHBondContact O-N 3.39Å; V21-G26 PolarHBondContact O-N 2.67Å; V21-I27 HydrophobicContact CG1-CD1 4.29Å; V21-I27 HydrophobicContact CG1-CG1 3.72Å; V21-Y40 HydrophobicContact CG2-CE1 4.33Å
22	Q	98.3	Very high	95.4	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.047	27%	0.266	C	S	.	.	H	α-helix	trans	-61.4	-39.6	175.4	-175	69.3	-74.5	0	0	111.1	A18 L19 G26 I27 A148 K151 V154	A18-Q22 WeakPolarHBondContact O-CB 3.37Å; A18-Q22 PolarHBondContact O-N 3.28Å; L19-Q22 PolarHBondContact O-N 2.93Å; Q22-G26 WeakPolarHBondContact O-CA 3.46Å; Q22-G26 PolarHBondContact O-N 2.73Å; Q22-G26 PolarHBondContact OE1-O 3.42Å; Q22-G26 VanDerWaalsContact OE1-O 3.07Å; Q22-I27 VanDerWaalsContact CA-O 3.28Å; Q22-I27 WeakPolarHBondContact CA-O 3.23Å; Q22-I27 PolarHBondContact N-O 3.37Å; Q22-I27 VanDerWaalsContact OE1-C 3.3Å; Q22-I27 PolarHBondContact OE1-O 2.82Å; Q22-A148 WeakPolarHBondContact CG-O 3.28Å; Q22-A148 PolarHBondContact NE2-O 3.15Å; Q22-K151 HydrophobicContact CG-CG 4.28Å; Q22-V154 HydrophobicContact CB-CG1 4.16Å; Q22-V154 HydrophobicContact CG-CG1 4.07Å; Q22-V154 HydrophobicContact CG-CG2 4.08Å
23	F	98.7	Very high	95	Very high	2 Å²	2	54 Å²	54	1%	0.009	29%	0.286	C	S	.	.	H	α-helix	trans	-66.1	-50.7	174.2	178.9	-108.3	0	0	0	111.9	L19 T20 V21 K42 V44 L53 I55 V154 N155 F158 Y159	L19-F23 WeakPolarHBondContact O-CB 3.31Å; L19-F23 PolarHBondContact O-N 3.38Å; T20-F23 PolarHBondContact O-N 3.24Å; V21-F23 VanDerWaalsContact C-N 3.27Å; V21-F23 PolarHBondContact O-N 2.95Å; F23-K42 HydrophobicContact CD1-CD 3.92Å; F23-K42 HydrophobicContact CE1-CB 4.2Å; F23-K42 HydrophobicContact CE1-CD 3.51Å; F23-K42 HydrophobicContact CE1-CG 4.45Å; F23-K42 HydrophobicContact CE2-CD 4.41Å; F23-K42 HydrophobicContact CZ-CD 3.81Å; F23-K42 WeakPolarHBondContact O-CE 3.48Å; F23-K42 PolarHBondContact O-NZ 3.28Å; F23-V44 HydrophobicContact CE1-CG1 4.48Å; F23-V44 HydrophobicContact CZ-CG1 3.84Å; F23-L53 HydrophobicContact CE1-CD1 3.9Å; F23-L53 HydrophobicContact CZ-CD1 3.78Å; F23-I55 HydrophobicContact CD1-CD1 3.48Å; F23-I55 VanDerWaalsContact CD1-CD1 3.48Å; F23-I55 HydrophobicContact CE1-CD1 3.57Å; F23-V154 HydrophobicContact CB-CG1 3.77Å; F23-N155 HydrophobicContact CD2-CB 4.48Å; F23-N155 WeakPolarHBondContact CD2-OD1 3.29Å; F23-N155 HydrophobicContact CE2-CB 4.36Å; F23-N155 WeakPolarHBondContact CE2-OD1 3.26Å; F23-F158 HydrophobicContact CB-CD2 3.84Å; F23-F158 HydrophobicContact CB-CE2 3.45Å; F23-F158 VanDerWaalsContact CB-CE2 3.45Å; F23-F158 HydrophobicContact CB-CZ 4.22Å; F23-F158 AromaticContact CD1-CD2 3.75Å; F23-F158 HydrophobicContact CD1-CD2 3.75Å; F23-F158 AromaticContact CD1-CE2 3.99Å; F23-F158 HydrophobicContact CD1-CE2 3.99Å; F23-F158 HydrophobicContact CD1-CG 4.06Å; F23-F158 HydrophobicContact CD1-CZ 4.46Å; F23-F158 HydrophobicContact CD2-CB 4.49Å; F23-F158 AromaticContact CD2-CD2 3.44Å; F23-F158 HydrophobicContact CD2-CD2 3.44Å; F23-F158 VanDerWaalsContact CD2-CD2 3.44Å; F23-F158 AromaticContact CD2-CE2 4Å; F23-F158 HydrophobicContact CD2-CE2 4Å; F23-F158 HydrophobicContact CD2-CG 4.22Å; F23-F158 HydrophobicContact CE1-CB 4.2Å; F23-F158 HydrophobicContact CE1-CD2 4.13Å; F23-F158 HydrophobicContact CE1-CG 4.06Å; F23-F158 HydrophobicContact CE2-CB 4.02Å; F23-F158 AromaticContact CE2-CD2 3.84Å; F23-F158 HydrophobicContact CE2-CD2 3.84Å; F23-F158 HydrophobicContact CE2-CG 4.22Å; F23-F158 AromaticContact CG-CD2 3.38Å; F23-F158 HydrophobicContact CG-CD2 3.38Å; F23-F158 AromaticContact CG-CE2 3.54Å; F23-F158 HydrophobicContact CG-CE2 3.54Å; F23-F158 HydrophobicContact CG-CG 4.14Å; F23-F158 HydrophobicContact CG-CZ 4.38Å; F23-F158 HydrophobicContact CZ-CB 3.83Å; F23-F158 HydrophobicContact CZ-CD2 4.15Å; F23-F158 HydrophobicContact CZ-CG 4.11Å; F23-Y159 AromaticContact CE2-CE1 3.9Å; F23-Y159 HydrophobicContact CE2-CE1 3.9Å; F23-Y159 HydrophobicContact CZ-CE1 4.01Å
24	V	98	Very high	94.8	Very high	32 Å²	32	55.8 Å²	55.8	19%	0.194	29%	0.293	C	S	.	.	H	α-helix	trans	-74.3	-42.9	-171.2	176.5	0	0	0	0	112.2	T20 V21 Y40 K42 I55	T20-V24 HydrophobicContact CG2-CG2 4.31Å; T20-V24 WeakPolarHBondContact O-CB 3.43Å; T20-V24 WeakPolarHBondContact O-CG2 3.4Å; T20-V24 PolarHBondContact O-N 2.97Å; V21-V24 PolarHBondContact O-N 3.15Å; V24-Y40 HydrophobicContact CB-CD1 4.44Å; V24-Y40 HydrophobicContact CG1-CD1 4.18Å; V24-Y40 HydrophobicContact CG2-CD1 4.38Å; V24-Y40 HydrophobicContact CG2-CG 4.22Å; V24-K42 HydrophobicContact CG2-CB 4.47Å; V24-I55 HydrophobicContact CG2-CD1 4.27Å
25	Q	96.6	Very high	94.3	Very high	109 Å²	109	56.6 Å²	56.6	51%	0.509	30%	0.298	S	S	.	.	H	α-helix	trans	-114.1	-13.3	-168.7	-58.7	-178.3	7.9	0	0	113.4	V21 I27	V21-Q25 HydrophobicContact CG1-CB 4.35Å; V21-Q25 WeakPolarHBondContact O-CA 3.35Å; V21-Q25 WeakPolarHBondContact O-CB 3.37Å; V21-Q25 PolarHBondContact O-N 3.39Å; Q25-I27 HydrophobicContact CB-CD1 4.45Å; Q25-I27 HydrophobicContact CB-CG1 3.99Å; Q25-I27 PolarHBondContact O-N 2.63Å
26	G	97.1	Very high	93.7	Very high	34 Å²	34	61.4 Å²	61.4	35%	0.351	32%	0.319	S	S	.	.	S	Bend	trans	71.8	16.9	-179.6	0	0	0	0	0	114.5	V21 Q22 K151	V21-G26 PolarHBondContact O-N 2.67Å; Q22-G26 WeakPolarHBondContact O-CA 3.46Å; Q22-G26 PolarHBondContact O-N 2.73Å; Q22-G26 PolarHBondContact OE1-O 3.42Å; Q22-G26 VanDerWaalsContact OE1-O 3.07Å; G26-K151 PolarHBondContact O-NZ 3.43Å
27	I	96.1	Very high	93.3	Very high	81 Å²	81	65.5 Å²	65.5	42%	0.415	34%	0.338	S	S	.	.			trans	-117.2	152.6	176.9	68.3	175.3	0	0	0	111.4	V21 Q22 Q25 V29	V21-I27 HydrophobicContact CG1-CD1 4.29Å; V21-I27 HydrophobicContact CG1-CG1 3.72Å; Q22-I27 VanDerWaalsContact CA-O 3.28Å; Q22-I27 WeakPolarHBondContact CA-O 3.23Å; Q22-I27 PolarHBondContact N-O 3.37Å; Q22-I27 VanDerWaalsContact OE1-C 3.3Å; Q22-I27 PolarHBondContact OE1-O 2.82Å; Q25-I27 HydrophobicContact CB-CD1 4.45Å; Q25-I27 HydrophobicContact CB-CG1 3.99Å; Q25-I27 PolarHBondContact O-N 2.63Å; I27-V29 HydrophobicContact CD1-CG2 4.25Å
28	F	95.4	Very high	93.2	Very high	71 Å²	71	67.5 Å²	67.5	31%	0.311	35%	0.346	S	S	.	.			trans	-117.1	125.6	170	175.8	-104.8	0	0	0	108.8	A18 E30 A148 K149	A18-F28 HydrophobicContact CB-CD2 4.17Å; A18-F28 HydrophobicContact CB-CE2 3.92Å; F28-E30 HydrophobicContact CD1-CG 4.13Å; F28-E30 HydrophobicContact CE1-CG 3.69Å; F28-A148 HydrophobicContact CD2-CB 4.06Å; F28-A148 HydrophobicContact CE2-CB 4.15Å; F28-K149 HydrophobicContact CD1-CB 4.27Å; F28-K149 HydrophobicContact CD1-CG 4.03Å; F28-K149 HydrophobicContact CD2-CB 4.35Å; F28-K149 HydrophobicContact CE1-CB 3.99Å; F28-K149 HydrophobicContact CE1-CD 4.18Å; F28-K149 HydrophobicContact CE1-CG 3.79Å; F28-K149 HydrophobicContact CE2-CB 4.1Å; F28-K149 HydrophobicContact CG-CB 4.44Å; F28-K149 HydrophobicContact CZ-CB 3.91Å; F28-K149 HydrophobicContact CZ-CG 4.2Å
29	V	91	Very high	93.1	Very high	85 Å²	85	69.9 Å²	69.9	52%	0.515	36%	0.361	S	S	.	.			trans	-105	118	177.7	-178.9	0	0	0	0	107.9	I27 K31	I27-V29 HydrophobicContact CD1-CG2 4.25Å; V29-K31 VanDerWaalsContact C-N 3.31Å; V29-K31 HydrophobicContact CG1-CB 4.28Å; V29-K31 PolarHBondContact O-N 2.93Å
30	E	88.1	Confident	93.1	Very high	160 Å²	160	71.9 Å²	71.9	75%	0.748	37%	0.369	S	S	*	.			trans	-69.5	-29.4	-177.4	-74.3	-176.4	171.8	0	0	113.1	F28 Y32	F28-E30 HydrophobicContact CD1-CG 4.13Å; F28-E30 HydrophobicContact CE1-CG 3.69Å; E30-Y32 PolarHBondContact O-N 2.94Å
31	K	88	Confident	93.1	Very high	171 Å²	171	78.3 Å²	78.3	74%	0.743	39%	0.393	S	S	*	.	S	Bend	trans	-69.6	124.4	179.8	-173.2	-177	176.2	-168.9	0	110.1	V29	V29-K31 VanDerWaalsContact C-N 3.31Å; V29-K31 HydrophobicContact CG1-CB 4.28Å; V29-K31 PolarHBondContact O-N 2.93Å
32	Y	81.1	Confident	93.1	Very high	132 Å²	132	80 Å²	80	52%	0.518	40%	0.399	S	S	.	.			trans	-87.2	128.9	171.7	-179.7	-113.1	0	0	0	111	G13 E30 P34	G13-Y32 PolarHBondContact N-OH 2.93Å; E30-Y32 PolarHBondContact O-N 2.94Å; Y32-P34 HydrophobicContact CE1-CG 3.87Å
33	D	87.7	Confident	93.1	Very high	119 Å²	119	84.5 Å²	84.5	64%	0.636	42%	0.42	S	S	*	.			trans	-131.6	123.2	168.6	-164.3	0.7	0	0	0	107.7	T35	D33-T35 PolarHBondContact O-N 2.95Å; D33-T35 VanDerWaalsContact O-N 3.14Å
34	P	89.8	Confident	93.1	Very high	62 Å²	62	85 Å²	85	40%	0.403	42%	0.423	S	S	.	.			trans	-58.3	116.6	178.5	-25.7	34.8	0	0	0	112.4	Y32	Y32-P34 HydrophobicContact CE1-CG 3.87Å
35	T	86.8	Confident	93.1	Very high	17 Å²	17	89 Å²	89	10%	0.104	44%	0.44	C	S	.	.			trans	-67	140.6	174	-52.6	0	0	0	0	111.2	S17 D33 D38 A59	S17-T35 PolarHBondContact OG-OG1 3.18Å; D33-T35 PolarHBondContact O-N 2.95Å; D33-T35 VanDerWaalsContact O-N 3.14Å; T35-D38 HydrophobicContact CG2-CB 4.43Å; T35-A59 WeakPolarHBondContact O-CA 3.33Å; T35-A59 WeakPolarHBondContact O-CB 3.22Å
36	I	86.5	Confident	93.1	Very high	117 Å²	117	84 Å²	84	60%	0.6	42%	0.417	S	S	*	.	S	Bend	trans	-87.6	-64.2	164.7	-64.3	172.5	0	0	0	108	A59 F64	I36-A59 WeakPolarHBondContact O-CB 3.47Å; I36-A59 PolarHBondContact O-N 3.34Å; I36-A59 VanDerWaalsContact O-N 3.1Å; I36-F64 HydrophobicContact CG1-CE2 4.13Å; I36-F64 HydrophobicContact CG1-CZ 4.34Å; I36-F64 HydrophobicContact CG2-CE2 4.21Å; I36-F64 HydrophobicContact CG2-CZ 4.3Å
37	E	90.4	Very high	93	Very high	96 Å²	96	86.6 Å²	86.6	45%	0.449	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	130.1	173.1	-174.9	177.7	90.6	0	0	107.6	L56 D57	E37-L56 HydrophobicContact CG-CD1 3.55Å; E37-L56 HydrophobicContact CG-CD2 4.48Å; E37-L56 HydrophobicContact CG-CG 4.12Å; E37-D57 WeakPolarHBondContact CA-O 3.46Å
38	D	94.7	Very high	92.8	Very high	73 Å²	73	86.7 Å²	86.7	39%	0.39	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	138.5	175.4	-76.8	-55.1	0	0	0	110.1	T35 Y40 D57	T35-D38 HydrophobicContact CG2-CB 4.43Å; D38-Y40 HydrophobicContact CB-CD2 4.35Å; D38-Y40 HydrophobicContact CB-CE2 3.51Å; D38-D57 HydrophobicContact CB-CB 4.41Å; D38-D57 PolarHBondContact N-O 3.42Å; D38-D57 PolarHBondContact O-N 2.79Å
39	S	96.4	Very high	92.7	Very high	72 Å²	72	85.9 Å²	85.9	50%	0.503	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.4	178.2	176.1	0	0	0	0	110.9	I55	S39-I55 WeakPolarHBondContact CA-O 3.45Å
40	Y	98.2	Very high	93	Very high	46 Å²	46	87.7 Å²	87.7	18%	0.18	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	150.3	179.2	-61	-94.2	0	0	0	111.1	T20 V21 V24 D38 E54 I55 D57	T20-Y40 HydrophobicContact CG2-CD2 3.41Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.41Å; T20-Y40 HydrophobicContact CG2-CE2 3.86Å; T20-Y40 HydrophobicContact CG2-CG 3.92Å; V21-Y40 HydrophobicContact CG2-CE1 4.33Å; V24-Y40 HydrophobicContact CB-CD1 4.44Å; V24-Y40 HydrophobicContact CG1-CD1 4.18Å; V24-Y40 HydrophobicContact CG2-CD1 4.38Å; V24-Y40 HydrophobicContact CG2-CG 4.22Å; D38-Y40 HydrophobicContact CB-CD2 4.35Å; D38-Y40 HydrophobicContact CB-CE2 3.51Å; Y40-E54 CarbonylContact O-C 3.57Å; Y40-E54 WeakPolarHBondContact O-CA 3.5Å; Y40-I55 PolarHBondContact N-O 2.89Å; Y40-I55 PolarHBondContact O-N 3.38Å; Y40-D57 HydrophobicContact CD2-CB 4.47Å; Y40-D57 HydrophobicContact CE2-CB 4.11Å
41	R	98.3	Very high	93.5	Very high	136 Å²	136	80.2 Å²	80.2	51%	0.513	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.4	171.8	-63.2	-176.4	76.4	-173.9	7.7	110.7	E3 M52 L53	E3-R41 IonicContact OE1-NH2 4Å; E3-R41 PolarHBondContact OE1-NH2 2.94Å; E3-R41 IonicContact OE2-NH2 3.68Å; R41-M52 HydrophobicContact CB-SD 4.03Å; R41-L53 CarbonylContact C-O 3.46Å; R41-L53 VanDerWaalsContact CA-O 3.23Å; R41-L53 WeakPolarHBondContact CA-O 3.16Å
42	K	98.4	Very high	94	Very high	54 Å²	54	73.7 Å²	73.7	24%	0.235	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	127	175.2	-165.4	-170.3	-174	-179.4	0	110.7	F23 V24 V44 L53	F23-K42 HydrophobicContact CD1-CD 3.92Å; F23-K42 HydrophobicContact CE1-CB 4.2Å; F23-K42 HydrophobicContact CE1-CD 3.51Å; F23-K42 HydrophobicContact CE1-CG 4.45Å; F23-K42 HydrophobicContact CE2-CD 4.41Å; F23-K42 HydrophobicContact CZ-CD 3.81Å; F23-K42 WeakPolarHBondContact O-CE 3.48Å; F23-K42 PolarHBondContact O-NZ 3.28Å; V24-K42 HydrophobicContact CG2-CB 4.47Å; K42-V44 HydrophobicContact CB-CG1 4.43Å; K42-V44 HydrophobicContact CD-CG1 3.61Å; K42-V44 HydrophobicContact CG-CG1 3.86Å; K42-L53 PolarHBondContact N-O 3.26Å; K42-L53 PolarHBondContact O-N 2.98Å
43	Q	98.4	Very high	94.8	Very high	106 Å²	106	67.4 Å²	67.4	50%	0.495	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	128.7	166.9	-176.4	173.3	5.9	0	0	109.4	M1 C51 M52	M1-Q43 HydrophobicContact CE-CB 4.26Å; M1-Q43 HydrophobicContact CE-CG 3.7Å; M1-Q43 HydrophobicContact SD-CG 3.89Å; M1-Q43 PolarHBondContact SD-NE2 3.35Å; Q43-C51 WeakPolarHBondContact CA-O 3.47Å; Q43-M52 HydrophobicContact CB-CE 4.33Å
44	V	98.2	Very high	95.3	Very high	11 Å²	11	64.4 Å²	64.4	7%	0.067	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	164.9	179.7	-59.5	0	0	0	0	110.9	F23 K42 V46 Q50 C51 L53 Y159	F23-V44 HydrophobicContact CE1-CG1 4.48Å; F23-V44 HydrophobicContact CZ-CG1 3.84Å; K42-V44 HydrophobicContact CB-CG1 4.43Å; K42-V44 HydrophobicContact CD-CG1 3.61Å; K42-V44 HydrophobicContact CG-CG1 3.86Å; V44-V46 HydrophobicContact CG2-CG2 4.08Å; V44-Q50 CarbonylContact O-C 3.57Å; V44-Q50 WeakPolarHBondContact O-CA 3.3Å; V44-C51 VanDerWaalsContact CG2-SG 3.55Å; V44-C51 PolarHBondContact N-O 2.78Å; V44-C51 PolarHBondContact O-N 2.65Å; V44-L53 HydrophobicContact CG2-CD1 3.85Å; V44-L53 HydrophobicContact CG2-CD2 4.29Å; V44-L53 HydrophobicContact CG2-CG 3.8Å; V44-Y159 HydrophobicContact CB-CE1 3.93Å; V44-Y159 HydrophobicContact CG1-CE1 4.13Å; V44-Y159 HydrophobicContact CG2-CE1 3.97Å
45	E	97.4	Very high	95.7	Very high	117 Å²	117	61.5 Å²	61.5	55%	0.547	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	120.6	170.4	-170.9	176.9	116.5	0	0	109.6	Q49	E45-Q49 WeakPolarHBondContact CA-O 3.49Å
46	V	96.5	Very high	96.3	Very high	4 Å²	4	62 Å²	62	2%	0.024	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.8	174.5	-177.3	0	0	0	0	108	V44 A48 Q49 Y159 V162 R163	V44-V46 HydrophobicContact CG2-CG2 4.08Å; V46-A48 VanDerWaalsContact C-N 3.31Å; V46-A48 PolarHBondContact O-N 3.33Å; V46-Q49 PolarHBondContact N-O 3.36Å; V46-Q49 PolarHBondContact O-N 2.8Å; V46-Y159 HydrophobicContact CG2-CD1 3.5Å; V46-Y159 HydrophobicContact CG2-CE1 3.97Å; V46-Y159 HydrophobicContact CG2-CG 3.92Å; V46-V162 HydrophobicContact CB-CG1 3.93Å; V46-V162 HydrophobicContact CG1-CB 4.36Å; V46-V162 HydrophobicContact CG1-CG1 3.92Å; V46-V162 HydrophobicContact CG2-CB 4.29Å; V46-V162 HydrophobicContact CG2-CG1 4.04Å; V46-V162 HydrophobicContact CG2-CG2 4.45Å; V46-R163 HydrophobicContact CG1-CG 4.01Å
47	D	94.8	Very high	96.7	Very high	88 Å²	88	56.5 Å²	56.5	47%	0.471	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	47.8	-179.6	-52.4	-22.3	0	0	0	112.8	Q49 R163	D47-Q49 PolarHBondContact O-N 2.74Å; D47-R163 IonicContact OD1-CZ 2.87Å; D47-R163 IonicContact OD1-NE 3.2Å; D47-R163 PolarHBondContact OD1-NE 3.05Å; D47-R163 IonicContact OD1-NH2 3.3Å; D47-R163 PolarHBondContact OD1-NH2 2.92Å; D47-R163 WeakPolarHBondContact OD2-CG 3.48Å; D47-R163 IonicContact OD2-NE 2.79Å; D47-R163 PolarHBondContact OD2-NE 2.93Å
48	A	93.8	Very high	96.9	Very high	83 Å²	83	52 Å²	52	69%	0.686	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	25.1	-176.4	0	0	0	0	0	114.5	V46	V46-A48 VanDerWaalsContact C-N 3.31Å; V46-A48 PolarHBondContact O-N 3.33Å
49	Q	93.4	Very high	96.8	Very high	54 Å²	54	49 Å²	49	25%	0.252	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.7	174.5	-59.9	-168.2	-92.2	0	0	110.8	E45 V46 D47 C51	E45-Q49 WeakPolarHBondContact CA-O 3.49Å; V46-Q49 PolarHBondContact N-O 3.36Å; V46-Q49 PolarHBondContact O-N 2.8Å; D47-Q49 PolarHBondContact O-N 2.74Å; Q49-C51 PolarHBondContact O-N 3.27Å
50	Q	96.6	Very high	96.3	Very high	124 Å²	124	45.7 Å²	45.7	58%	0.579	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	132.8	170.7	-66.7	-173.4	-16	0	0	110.3	M1 V44	M1-Q50 WeakPolarHBondContact CG-O 3.47Å; M1-Q50 HydrophobicContact SD-CB 3.91Å; V44-Q50 CarbonylContact O-C 3.57Å; V44-Q50 WeakPolarHBondContact O-CA 3.3Å
51	C	97.4	Very high	95.5	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.02	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	158.6	177.2	55.9	0	0	0	0	112	M1 R2 Y4 Q43 V44 Q49	M1-C51 VanDerWaalsContact CG-CA 3.45Å; M1-C51 VanDerWaalsContact SD-C 3.52Å; R2-C51 WeakPolarHBondContact O-CA 3.08Å; R2-C51 WeakPolarHBondContact O-CB 3.35Å; Y4-C51 HydrophobicContact CD2-CB 3.8Å; Y4-C51 HydrophobicContact CE2-CB 3.35Å; Q43-C51 WeakPolarHBondContact CA-O 3.47Å; V44-C51 VanDerWaalsContact CG2-SG 3.55Å; V44-C51 PolarHBondContact N-O 2.78Å; V44-C51 PolarHBondContact O-N 2.65Å; Q49-C51 PolarHBondContact O-N 3.27Å
52	M	98.5	Very high	94.4	Very high	33 Å²	33	43.3 Å²	43.3	16%	0.163	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	126.9	169.8	-173.3	61.3	75.4	0	0	108.7	M1 R2 E3 Y4 R41 Q43	M1-M52 HydrophobicContact CE-CB 3.76Å; M1-M52 HydrophobicContact CE-CE 3.77Å; R2-M52 PolarHBondContact O-N 3.37Å; E3-M52 CarbonylContact C-O 3.59Å; E3-M52 VanDerWaalsContact CA-O 3.31Å; E3-M52 WeakPolarHBondContact CA-O 3.38Å; E3-M52 HydrophobicContact CB-CB 4.45Å; E3-M52 HydrophobicContact CG-CB 4.07Å; Y4-M52 PolarHBondContact N-O 3.49Å; R41-M52 HydrophobicContact CB-SD 4.03Å; Q43-M52 HydrophobicContact CB-CE 4.33Å
53	L	98.7	Very high	93.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.8	167.3	-51.1	-170.5	0	0	0	108.8	Y4 L6 F23 R41 K42 V44 I55 F158 V162	Y4-L53 HydrophobicContact CD2-CD2 3.89Å; Y4-L53 HydrophobicContact CG-CD2 4.09Å; L6-L53 HydrophobicContact CD1-CD1 4.03Å; L6-L53 HydrophobicContact CD1-CD2 4.42Å; F23-L53 HydrophobicContact CE1-CD1 3.9Å; F23-L53 HydrophobicContact CZ-CD1 3.78Å; R41-L53 CarbonylContact C-O 3.46Å; R41-L53 VanDerWaalsContact CA-O 3.23Å; R41-L53 WeakPolarHBondContact CA-O 3.16Å; K42-L53 PolarHBondContact N-O 3.26Å; K42-L53 PolarHBondContact O-N 2.98Å; V44-L53 HydrophobicContact CG2-CD1 3.85Å; V44-L53 HydrophobicContact CG2-CD2 4.29Å; V44-L53 HydrophobicContact CG2-CG 3.8Å; L53-I55 HydrophobicContact CB-CD1 4.42Å; L53-I55 HydrophobicContact CB-CG1 4.21Å; L53-F158 HydrophobicContact CD1-CB 4.04Å; L53-V162 HydrophobicContact CD1-CG2 4.24Å; L53-V162 HydrophobicContact CD2-CG2 3.37Å; L53-V162 HydrophobicContact CG-CG2 4.47Å
54	E	98.5	Very high	92	Very high	57 Å²	57	44.4 Å²	44.4	27%	0.266	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	111.5	164.9	-176.9	-175.8	169	0	0	106.4	Y4 K5 L6 Y40	Y4-E54 PolarHBondContact O-N 2.86Å; K5-E54 CarbonylContact C-O 3.49Å; K5-E54 WeakPolarHBondContact CA-O 3.28Å; K5-E54 VanDerWaalsContact CE-OE2 3.28Å; K5-E54 WeakPolarHBondContact CE-OE2 3.36Å; K5-E54 HydrophobicContact CG-CB 4.5Å; K5-E54 IonicContact NZ-OE2 3.91Å; L6-E54 PolarHBondContact N-O 2.96Å; Y40-E54 CarbonylContact O-C 3.57Å; Y40-E54 WeakPolarHBondContact O-CA 3.5Å
55	I	98.8	Very high	90.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116	-175.2	-57.7	166.5	0	0	0	108	L6 V8 T20 F23 V24 S39 Y40 L53 F158	L6-I55 HydrophobicContact CB-CG1 4.33Å; L6-I55 HydrophobicContact CD1-CG1 4.48Å; L6-I55 WeakPolarHBondContact O-CA 3.47Å; V8-I55 HydrophobicContact CG2-CG2 3.8Å; T20-I55 HydrophobicContact CG2-CB 4.31Å; T20-I55 HydrophobicContact CG2-CG2 3.72Å; F23-I55 HydrophobicContact CD1-CD1 3.48Å; F23-I55 VanDerWaalsContact CD1-CD1 3.48Å; F23-I55 HydrophobicContact CE1-CD1 3.57Å; V24-I55 HydrophobicContact CG2-CD1 4.27Å; S39-I55 WeakPolarHBondContact CA-O 3.45Å; Y40-I55 PolarHBondContact N-O 2.89Å; Y40-I55 PolarHBondContact O-N 3.38Å; L53-I55 HydrophobicContact CB-CD1 4.42Å; L53-I55 HydrophobicContact CB-CG1 4.21Å; I55-F158 HydrophobicContact CD1-CD1 3.71Å; I55-F158 HydrophobicContact CD1-CE1 3.68Å; I55-F158 HydrophobicContact CD1-CG 4.35Å; I55-F158 HydrophobicContact CD1-CZ 4.3Å; I55-F158 HydrophobicContact CG1-CD1 4.2Å; I55-F158 HydrophobicContact CG1-CE1 4.18Å; I55-F158 HydrophobicContact CG2-CE1 3.9Å
56	L	97.6	Very high	89.5	Confident	29 Å²	29	47.1 Å²	47.1	15%	0.152	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	111.1	170.9	-167	71.1	0	0	0	109.4	L6 V7 V8 E37 T58 Y71	L6-L56 PolarHBondContact O-N 3.34Å; V7-L56 HydrophobicContact CG1-CB 4.38Å; V7-L56 HydrophobicContact CG1-CD2 4.32Å; V7-L56 HydrophobicContact CG2-CB 4.38Å; V8-L56 PolarHBondContact N-O 3.01Å; E37-L56 HydrophobicContact CG-CD1 3.55Å; E37-L56 HydrophobicContact CG-CD2 4.48Å; E37-L56 HydrophobicContact CG-CG 4.12Å; L56-T58 HydrophobicContact CD2-CG2 4.21Å; L56-T58 HydrophobicContact CG-CG2 4.19Å; L56-Y71 HydrophobicContact CD2-CD1 4.03Å; L56-Y71 HydrophobicContact CD2-CG 3.86Å
57	D	95.8	Very high	88.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	131	167.5	-175.7	31.6	0	0	0	109.2	K16 S17 T20 E37 D38 Y40	K16-D57 VanDerWaalsContact CB-OD1 3.28Å; K16-D57 WeakPolarHBondContact CB-OD1 3.33Å; S17-D57 WeakPolarHBondContact CA-OD2 3.4Å; S17-D57 WeakPolarHBondContact CB-OD2 3.47Å; S17-D57 PolarHBondContact N-OD1 2.94Å; S17-D57 PolarHBondContact OG-OD2 3.23Å; T20-D57 HydrophobicContact CG2-CB 4.4Å; E37-D57 WeakPolarHBondContact CA-O 3.46Å; D38-D57 HydrophobicContact CB-CB 4.41Å; D38-D57 PolarHBondContact N-O 3.42Å; D38-D57 PolarHBondContact O-N 2.79Å; Y40-D57 HydrophobicContact CD2-CB 4.47Å; Y40-D57 HydrophobicContact CE2-CB 4.11Å
58	T	94.7	Very high	88.4	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	160.9	-167.9	65.2	0	0	0	0	111.9	V7 V8 L9 K16 L56 Y71	V7-T58 HydrophobicContact CG1-CG2 3.81Å; V8-T58 PolarHBondContact O-OG1 3.01Å; L9-T58 HydrophobicContact CD2-CG2 4.03Å; L9-T58 WeakPolarHBondContact CD2-OG1 3.38Å; K16-T58 WeakPolarHBondContact CE-O 3.49Å; L56-T58 HydrophobicContact CD2-CG2 4.21Å; L56-T58 HydrophobicContact CG-CG2 4.19Å; T58-Y71 HydrophobicContact CG2-CD1 4.41Å; T58-Y71 HydrophobicContact CG2-CE1 4.13Å
59	A	92.4	Very high	88.3	Confident	10 Å²	10	48.1 Å²	48.1	8%	0.083	26%	0.255	C	S	.	.			trans	-59.3	167.4	167.5	0	0	0	0	0	113.1	K16 T35 I36 Q63 F64	K16-A59 WeakPolarHBondContact CE-O 3.45Å; K16-A59 PolarHBondContact NZ-O 3.18Å; T35-A59 WeakPolarHBondContact O-CA 3.33Å; T35-A59 WeakPolarHBondContact O-CB 3.22Å; I36-A59 WeakPolarHBondContact O-CB 3.47Å; I36-A59 PolarHBondContact O-N 3.34Å; I36-A59 VanDerWaalsContact O-N 3.1Å; A59-Q63 HydrophobicContact CB-CB 3.94Å; A59-F64 HydrophobicContact CB-CD2 3.86Å
60	G	86.6	Confident	88.2	Confident	4 Å²	4	50 Å²	50	4%	0.041	27%	0.265	C	S	.	.			trans	-56.3	155.4	169.7	0	0	0	0	0	113.4	E62 Q63 R68	G60-E62 VanDerWaalsContact C-OE2 3.26Å; G60-E62 WeakPolarHBondContact CA-OE2 3.32Å; G60-E62 PolarHBondContact O-N 2.94Å; G60-E62 VanDerWaalsContact O-N 3.11Å; G60-Q63 PolarHBondContact O-N 3.12Å; G60-R68 PolarHBondContact O-NH2 3.37Å
61	T	80.1	Confident	88.1	Confident	22 Å²	22	45 Å²	45	14%	0.135	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-17.2	176.5	48.4	0	0	0	0	113.7	G10 S11 Q63 R68 L96	G10-T61 PolarHBondContact O-N 3.37Å; S11-T61 VanDerWaalsContact CA-OG1 3.27Å; S11-T61 WeakPolarHBondContact CA-OG1 3.44Å; S11-T61 PolarHBondContact OG-OG1 3.43Å; T61-Q63 VanDerWaalsContact C-N 3.34Å; T61-R68 VanDerWaalsContact O-CZ 3.28Å; T61-R68 PolarHBondContact O-NH1 3.45Å; T61-R68 VanDerWaalsContact O-NH1 3.1Å; T61-R68 PolarHBondContact O-NH2 3.5Å; T61-L96 HydrophobicContact CG2-CD1 3.23Å; T61-L96 HydrophobicContact CG2-CD2 3.9Å; T61-L96 HydrophobicContact CG2-CG 3.61Å
62	E	76.6	Confident	88	Confident	110 Å²	110	44.9 Å²	44.9	51%	0.514	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-9.1	175.2	70.6	-67.4	169.7	0	0	113.3	G12 G60	G12-E62 VanDerWaalsContact CA-OE1 3.32Å; G12-E62 WeakPolarHBondContact CA-OE1 3.41Å; G12-E62 PolarHBondContact N-OE1 3.4Å; G12-E62 PolarHBondContact N-OE2 2.96Å; G60-E62 VanDerWaalsContact C-OE2 3.26Å; G60-E62 WeakPolarHBondContact CA-OE2 3.32Å; G60-E62 PolarHBondContact O-N 2.94Å; G60-E62 VanDerWaalsContact O-N 3.11Å
63	Q	74.2	Confident	87.9	Confident	62 Å²	62	50.2 Å²	50.2	29%	0.29	26%	0.263	S	S	.	.	S	Bend	trans	-120.8	150.8	-173.8	-54.1	179.2	-5.9	0	0	112.3	A59 G60 T61 T65 R68	A59-Q63 HydrophobicContact CB-CB 3.94Å; G60-Q63 PolarHBondContact O-N 3.12Å; T61-Q63 VanDerWaalsContact C-N 3.34Å; Q63-T65 PolarHBondContact O-N 3.06Å; Q63-R68 PolarHBondContact O-NH2 3.01Å
64	F	70.6	Confident	87.7	Confident	121 Å²	121	54.4 Å²	54.4	53%	0.531	29%	0.286	S	S	.	.			trans	49	50.5	168.7	-57.7	-77.4	0	0	0	116.2	I36 A59 A66	I36-F64 HydrophobicContact CG1-CE2 4.13Å; I36-F64 HydrophobicContact CG1-CZ 4.34Å; I36-F64 HydrophobicContact CG2-CE2 4.21Å; I36-F64 HydrophobicContact CG2-CZ 4.3Å; A59-F64 HydrophobicContact CB-CD2 3.86Å; F64-A66 VanDerWaalsContact C-N 3.28Å; F64-A66 PolarHBondContact O-N 2.96Å
65	T	70	Confident	87.7	Confident	90 Å²	90	51.8 Å²	51.8	55%	0.552	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-65.6	-24.7	-177.1	54.9	0	0	0	0	114.6	Q63 M67 R68	Q63-T65 PolarHBondContact O-N 3.06Å; T65-M67 VanDerWaalsContact C-N 3.26Å; T65-M67 PolarHBondContact O-N 3.18Å; T65-R68 WeakPolarHBondContact O-CG 3.4Å; T65-R68 PolarHBondContact O-N 2.75Å
66	A	75	Confident	87.7	Confident	95 Å²	95	55.3 Å²	55.3	79%	0.785	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-65.6	-26	-175.3	0	0	0	0	0	114	F64	F64-A66 VanDerWaalsContact C-N 3.28Å; F64-A66 PolarHBondContact O-N 2.96Å
67	M	80.4	Confident	87.7	Confident	99 Å²	99	54 Å²	54	49%	0.488	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-96.3	-2.6	-176.2	-65.6	-62	-71.8	0	0	113.5	T65 D69 L70 Y71	T65-M67 VanDerWaalsContact C-N 3.26Å; T65-M67 PolarHBondContact O-N 3.18Å; M67-D69 VanDerWaalsContact C-N 3.35Å; M67-D69 PolarHBondContact O-N 2.84Å; M67-L70 HydrophobicContact CE-CD2 3.68Å; M67-L70 WeakPolarHBondContact O-CB 3.35Å; M67-L70 PolarHBondContact O-N 2.82Å; M67-L70 VanDerWaalsContact O-N 3.17Å; M67-Y71 WeakPolarHBondContact O-CD1 3.44Å
68	R	87.1	Confident	87.9	Confident	19 Å²	19	54 Å²	54	7%	0.072	28%	0.283	C	S	.	.	H	α-helix	trans	-60.8	-44.5	-173.3	-59.5	-145.5	170.3	130.7	16.1	113.6	G60 T61 Q63 T65 L70 Y71 M72	G60-R68 PolarHBondContact O-NH2 3.37Å; T61-R68 VanDerWaalsContact O-CZ 3.28Å; T61-R68 PolarHBondContact O-NH1 3.45Å; T61-R68 VanDerWaalsContact O-NH1 3.1Å; T61-R68 PolarHBondContact O-NH2 3.5Å; Q63-R68 PolarHBondContact O-NH2 3.01Å; T65-R68 WeakPolarHBondContact O-CG 3.4Å; T65-R68 PolarHBondContact O-N 2.75Å; R68-L70 PolarHBondContact O-N 2.79Å; R68-L70 VanDerWaalsContact O-N 3.16Å; R68-Y71 HydrophobicContact CB-CE1 4.44Å; R68-Y71 HydrophobicContact CB-CE2 4.03Å; R68-Y71 VanDerWaalsContact CD-OH 3.27Å; R68-Y71 WeakPolarHBondContact CD-OH 3.31Å; R68-Y71 HydrophobicContact CG-CE1 4.41Å; R68-Y71 HydrophobicContact CG-CE2 4.39Å; R68-Y71 WeakPolarHBondContact CG-OH 3.46Å; R68-Y71 PolarHBondContact NE-OH 2.89Å; R68-Y71 WeakPolarHBondContact O-CD2 3.4Å; R68-Y71 WeakPolarHBondContact O-CE2 3.38Å; R68-Y71 PolarHBondContact O-N 3.4Å; R68-M72 HydrophobicContact CB-CE 4.09Å; R68-M72 HydrophobicContact CB-SD 4.33Å; R68-M72 WeakPolarHBondContact O-CB 3.12Å; R68-M72 VanDerWaalsContact O-CG 3.23Å; R68-M72 WeakPolarHBondContact O-CG 3.27Å; R68-M72 PolarHBondContact O-N 3Å
69	D	91.4	Very high	88.1	Confident	78 Å²	78	54 Å²	54	42%	0.417	28%	0.284	S	S	.	.	H	α-helix	trans	-62.1	-29.6	-176.4	-69.1	3.5	0	0	0	111	M67 K73 Q99 V103	M67-D69 VanDerWaalsContact C-N 3.35Å; M67-D69 PolarHBondContact O-N 2.84Å; D69-K73 WeakPolarHBondContact O-CB 3.42Å; D69-K73 PolarHBondContact O-N 2.86Å; D69-Q99 PolarHBondContact OD1-NE2 3.33Å; D69-V103 HydrophobicContact CB-CG2 4.22Å
70	L	92.2	Very high	88.4	Confident	92 Å²	92	53.5 Å²	53.5	48%	0.482	28%	0.28	S	S	.	.	H	α-helix	trans	-67.8	-52.8	179	-176.2	63.5	0	0	0	112	M67 R68 M72 K73 N74	M67-L70 HydrophobicContact CE-CD2 3.68Å; M67-L70 WeakPolarHBondContact O-CB 3.35Å; M67-L70 PolarHBondContact O-N 2.82Å; M67-L70 VanDerWaalsContact O-N 3.17Å; R68-L70 PolarHBondContact O-N 2.79Å; R68-L70 VanDerWaalsContact O-N 3.16Å; L70-M72 VanDerWaalsContact C-N 3.35Å; L70-K73 PolarHBondContact O-N 3.48Å; L70-N74 WeakPolarHBondContact O-CB 3.49Å; L70-N74 PolarHBondContact O-N 2.86Å; L70-N74 PolarHBondContact O-ND2 2.92Å
71	Y	93	Very high	88.9	Confident	20 Å²	20	53.3 Å²	53.3	8%	0.078	28%	0.278	C	S	.	.	H	α-helix	trans	-73.1	-28.7	179.3	56.6	-119.1	0	0	0	112.4	V7 L9 L56 T58 M67 R68 N74 G75	V7-Y71 HydrophobicContact CG1-CD2 3.9Å; V7-Y71 HydrophobicContact CG1-CE2 4.41Å; V7-Y71 HydrophobicContact CG1-CG 4.4Å; L9-Y71 HydrophobicContact CD1-CE2 4.41Å; L9-Y71 HydrophobicContact CD2-CD2 4.35Å; L9-Y71 HydrophobicContact CD2-CE2 3.45Å; L9-Y71 VanDerWaalsContact CD2-CE2 3.45Å; L9-Y71 HydrophobicContact CG-CE2 4.49Å; L56-Y71 HydrophobicContact CD2-CD1 4.03Å; L56-Y71 HydrophobicContact CD2-CG 3.86Å; T58-Y71 HydrophobicContact CG2-CD1 4.41Å; T58-Y71 HydrophobicContact CG2-CE1 4.13Å; M67-Y71 WeakPolarHBondContact O-CD1 3.44Å; R68-Y71 HydrophobicContact CB-CE1 4.44Å; R68-Y71 HydrophobicContact CB-CE2 4.03Å; R68-Y71 VanDerWaalsContact CD-OH 3.27Å; R68-Y71 WeakPolarHBondContact CD-OH 3.31Å; R68-Y71 HydrophobicContact CG-CE1 4.41Å; R68-Y71 HydrophobicContact CG-CE2 4.39Å; R68-Y71 WeakPolarHBondContact CG-OH 3.46Å; R68-Y71 PolarHBondContact NE-OH 2.89Å; R68-Y71 WeakPolarHBondContact O-CD2 3.4Å; R68-Y71 WeakPolarHBondContact O-CE2 3.38Å; R68-Y71 PolarHBondContact O-N 3.4Å; Y71-N74 PolarHBondContact O-N 3.4Å; Y71-G75 WeakPolarHBondContact O-CA 3.36Å; Y71-G75 PolarHBondContact O-N 2.82Å
72	M	95.2	Very high	89.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67.7	-39.1	172.1	-70.3	178.4	-178.2	0	0	110.9	L9 R68 L70 F78 L96 Q99 I100 V103 K104	L9-M72 HydrophobicContact CD1-CE 4.19Å; R68-M72 HydrophobicContact CB-CE 4.09Å; R68-M72 HydrophobicContact CB-SD 4.33Å; R68-M72 WeakPolarHBondContact O-CB 3.12Å; R68-M72 VanDerWaalsContact O-CG 3.23Å; R68-M72 WeakPolarHBondContact O-CG 3.27Å; R68-M72 PolarHBondContact O-N 3Å; L70-M72 VanDerWaalsContact C-N 3.35Å; M72-F78 HydrophobicContact CG-CE1 4.44Å; M72-F78 WeakPolarHBondContact O-CZ 3.42Å; M72-L96 HydrophobicContact CE-CD2 4.01Å; M72-Q99 HydrophobicContact CE-CB 4.24Å; M72-Q99 HydrophobicContact CE-CG 4.06Å; M72-Q99 HydrophobicContact SD-CB 4.16Å; M72-Q99 HydrophobicContact SD-CG 3.63Å; M72-I100 HydrophobicContact CE-CG1 3.84Å; M72-I100 HydrophobicContact CG-CG1 3.98Å; M72-I100 HydrophobicContact SD-CG1 3.8Å; M72-V103 HydrophobicContact CB-CB 4.04Å; M72-V103 HydrophobicContact CB-CG1 3.73Å; M72-V103 HydrophobicContact CB-CG2 4.36Å; M72-V103 HydrophobicContact SD-CG2 4.35Å; M72-K104 WeakPolarHBondContact O-CE 3.41Å; M72-K104 PolarHBondContact O-NZ 2.95Å
73	K	96.2	Very high	90.9	Very high	146 Å²	146	47.1 Å²	47.1	64%	0.635	25%	0.247	S	C	*	.	H	α-helix	trans	-64.5	-43.6	174.3	-174.9	173.7	-177.4	175.3	0	111.6	D69 L70 V103 K104	D69-K73 WeakPolarHBondContact O-CB 3.42Å; D69-K73 PolarHBondContact O-N 2.86Å; L70-K73 PolarHBondContact O-N 3.48Å; K73-V103 HydrophobicContact CB-CG1 3.96Å; K73-K104 PolarHBondContact O-NZ 3.3Å
74	N	95.7	Very high	92.1	Very high	88 Å²	88	44.2 Å²	44.2	47%	0.471	23%	0.234	S	C	.	.	H	α-helix	trans	-84.4	-26.9	-174.9	-67.1	-23.6	0	0	0	114.9	L70 Y71	L70-N74 WeakPolarHBondContact O-CB 3.49Å; L70-N74 PolarHBondContact O-N 2.86Å; L70-N74 PolarHBondContact O-ND2 2.92Å; Y71-N74 PolarHBondContact O-N 3.4Å
75	G	97.9	Very high	93.4	Very high	2 Å²	2	40 Å²	40	2%	0.021	22%	0.218	C	C	.	.			trans	-68.3	141	-178.3	0	0	0	0	0	112.9	Y71 F78 K104	Y71-G75 WeakPolarHBondContact O-CA 3.36Å; Y71-G75 PolarHBondContact O-N 2.82Å; G75-F78 WeakPolarHBondContact O-CZ 3.37Å; G75-K104 WeakPolarHBondContact O-CE 3.42Å; G75-K104 PolarHBondContact O-NZ 2.92Å
76	Q	98.4	Very high	94.8	Very high	74 Å²	74	37 Å²	37	35%	0.346	20%	0.203	S	C	.	.	S	Bend	trans	-99.1	-24.5	179	-64.9	172.6	-64.8	0	0	112.7	K5 P110 I165	K5-Q76 HydrophobicContact CB-CG 4.36Å; K5-Q76 WeakPolarHBondContact O-CA 3.29Å; K5-Q76 WeakPolarHBondContact O-CB 3.49Å; K5-Q76 PolarHBondContact O-N 3Å; Q76-P110 WeakPolarHBondContact O-CB 3.49Å; Q76-P110 WeakPolarHBondContact O-CG 3.36Å; Q76-I165 HydrophobicContact CB-CD1 3.72Å; Q76-I165 HydrophobicContact CB-CG1 4.2Å; Q76-I165 WeakPolarHBondContact O-CG1 3.48Å
77	G	98.7	Very high	95.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	147.7	174.9	0	0	0	0	0	112.2	K5 L6 V7 P110	K5-G77 PolarHBondContact O-N 3.16Å; L6-G77 CarbonylContact C-O 3.37Å; L6-G77 WeakPolarHBondContact CA-O 2.96Å; V7-G77 PolarHBondContact N-O 3.17Å; G77-P110 WeakPolarHBondContact CA-O 3.43Å
78	F	98.8	Very high	96.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	122.5	-169.7	-58.9	-86.6	0	0	0	111.4	V7 L9 M72 G75 L80 I100 V109 P110 M111 I112	V7-F78 HydrophobicContact CB-CD1 3.85Å; V7-F78 HydrophobicContact CB-CE1 3.99Å; V7-F78 HydrophobicContact CG2-CD1 4.29Å; V7-F78 HydrophobicContact CG2-CE1 3.93Å; V7-F78 WeakPolarHBondContact O-CA 3.49Å; L9-F78 HydrophobicContact CD1-CD1 3.9Å; M72-F78 HydrophobicContact CG-CE1 4.44Å; M72-F78 WeakPolarHBondContact O-CZ 3.42Å; G75-F78 WeakPolarHBondContact O-CZ 3.37Å; F78-L80 HydrophobicContact CB-CD1 3.79Å; F78-I100 HydrophobicContact CB-CD1 4.13Å; F78-I100 HydrophobicContact CD1-CD1 4.04Å; F78-I100 HydrophobicContact CD1-CG1 4.35Å; F78-I100 HydrophobicContact CD1-CG2 4.49Å; F78-I100 HydrophobicContact CD2-CG2 3.89Å; F78-I100 HydrophobicContact CE2-CG2 3.94Å; F78-I100 HydrophobicContact CG-CD1 4.06Å; F78-I100 HydrophobicContact CG-CG2 4.18Å; F78-I100 HydrophobicContact CZ-CG2 4.29Å; F78-V109 HydrophobicContact CD2-CG1 3.53Å; F78-V109 HydrophobicContact CE2-CG1 3.63Å; F78-P110 PolarHBondContact N-O 3.28Å; F78-M111 VanDerWaalsContact O-CA 3.31Å; F78-M111 WeakPolarHBondContact O-CA 3.42Å; F78-I112 PolarHBondContact O-N 2.99Å
79	A	98.9	Very high	97.3	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.017	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	115.3	166.9	0	0	0	0	0	108.8	V7 V8 L9 V81 I112 I157 L161	V7-A79 PolarHBondContact O-N 3.34Å; V8-A79 HydrophobicContact CG1-CB 4.42Å; V8-A79 HydrophobicContact CG2-CB 4.5Å; L9-A79 PolarHBondContact N-O 3.44Å; A79-V81 HydrophobicContact CB-CG2 4.47Å; A79-I112 HydrophobicContact CB-CG2 4.01Å; A79-I157 HydrophobicContact CB-CG2 3.99Å; A79-L161 HydrophobicContact CB-CD1 4.19Å
80	L	98.8	Very high	97.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	109.4	176	-81.6	67.5	0	0	0	108.2	F78 L93 L96 R97 I100 M111 I112 V114 W138	F78-L80 HydrophobicContact CB-CD1 3.79Å; L80-L93 HydrophobicContact CB-CD1 4.25Å; L80-L93 HydrophobicContact CB-CD2 4.19Å; L80-L96 HydrophobicContact CD2-CB 4.38Å; L80-R97 HydrophobicContact CD2-CB 3.95Å; L80-I100 HydrophobicContact CD1-CD1 3.73Å; L80-I100 HydrophobicContact CD2-CD1 4.4Å; L80-I100 HydrophobicContact CG-CD1 4.4Å; L80-M111 HydrophobicContact CD1-CE 4.05Å; L80-M111 HydrophobicContact CD1-CG 3.81Å; L80-M111 HydrophobicContact CD1-SD 3.93Å; L80-M111 HydrophobicContact CD2-CE 4.46Å; L80-M111 HydrophobicContact CD2-SD 3.98Å; L80-I112 PolarHBondContact N-O 3.2Å; L80-V114 PolarHBondContact O-N 2.64Å; L80-W138 HydrophobicContact CD2-CH2 4.09Å; L80-W138 HydrophobicContact CD2-CZ3 4.07Å
81	V	98.9	Very high	97.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.2	-168.8	-170.1	0	0	0	0	110.3	V8 L9 G10 V14 K16 L19 A79 V114 N116	V8-V81 HydrophobicContact CG1-CG2 3.66Å; L9-V81 PolarHBondContact O-N 3.36Å; G10-V81 WeakPolarHBondContact CA-O 3.3Å; V14-V81 HydrophobicContact CB-CG1 4.24Å; V14-V81 HydrophobicContact CG2-CB 3.96Å; V14-V81 HydrophobicContact CG2-CG1 3.86Å; V14-V81 WeakPolarHBondContact CG2-O 3.29Å; K16-V81 HydrophobicContact CG-CB 4.37Å; L19-V81 HydrophobicContact CD1-CG1 3.9Å; L19-V81 HydrophobicContact CD1-CG2 4.17Å; A79-V81 HydrophobicContact CB-CG2 4.47Å; V81-V114 WeakPolarHBondContact CA-O 3.42Å; V81-V114 HydrophobicContact CG1-CB 4.46Å; V81-V114 HydrophobicContact CG1-CG1 4.39Å; V81-V114 HydrophobicContact CG2-CB 4.18Å; V81-N116 HydrophobicContact CG1-CB 3.73Å
82	Y	98.9	Very high	98	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	163.3	165.7	70.1	-84.2	0	0	0	110.5	I84 T89 F90 L93 L113 V114 N116 V126 F143	Y82-I84 HydrophobicContact CE2-CG2 4.01Å; Y82-T89 WeakPolarHBondContact CB-O 3.23Å; Y82-F90 AromaticContact CD1-CD2 3.86Å; Y82-F90 HydrophobicContact CD1-CD2 3.86Å; Y82-F90 HydrophobicContact CD2-CB 3.92Å; Y82-F90 AromaticContact CD2-CD2 3.9Å; Y82-F90 HydrophobicContact CD2-CD2 3.9Å; Y82-F90 HydrophobicContact CD2-CG 4.4Å; Y82-F90 AromaticContact CE1-CD2 3.8Å; Y82-F90 HydrophobicContact CE1-CD2 3.8Å; Y82-F90 HydrophobicContact CE1-CE2 4.2Å; Y82-F90 AromaticContact CE2-CD2 3.87Å; Y82-F90 HydrophobicContact CE2-CD2 3.87Å; Y82-F90 HydrophobicContact CG-CB 4.08Å; Y82-F90 AromaticContact CG-CD2 3.91Å; Y82-F90 HydrophobicContact CG-CD2 3.91Å; Y82-F90 AromaticContact CZ-CD2 3.81Å; Y82-L93 HydrophobicContact CD1-CD1 3.74Å; Y82-L93 HydrophobicContact CG-CD1 4.22Å; Y82-L113 HydrophobicContact CD1-CD1 3.82Å; Y82-L113 HydrophobicContact CD1-CG 4.5Å; Y82-L113 HydrophobicContact CE1-CD1 3.91Å; Y82-L113 HydrophobicContact CE1-CG 4.1Å; Y82-V114 VanDerWaalsContact CD1-O 3.23Å; Y82-V114 WeakPolarHBondContact CD1-O 3.3Å; Y82-V114 PolarHBondContact N-O 2.63Å; Y82-N116 PolarHBondContact O-N 3.1Å; Y82-V126 HydrophobicContact CD2-CB 4.49Å; Y82-V126 HydrophobicContact CD2-CG1 4.34Å; Y82-V126 HydrophobicContact CD2-CG2 4.36Å; Y82-V126 HydrophobicContact CE2-CB 3.9Å; Y82-V126 HydrophobicContact CE2-CG1 3.59Å; Y82-V126 HydrophobicContact CE2-CG2 4.26Å; Y82-F143 HydrophobicContact CE1-CE2 4.31Å
83	S	98.8	Very high	98.2	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.014	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128.2	170.8	-168.8	0	0	0	0	109.2	T85 A86 T89 K117	S83-T85 PolarHBondContact O-N 3.04Å; S83-T85 PolarHBondContact OG-OG1 2.97Å; S83-A86 PolarHBondContact O-N 2.93Å; S83-T89 PolarHBondContact N-OG1 3.28Å; S83-K117 WeakPolarHBondContact OG-CD 3.31Å; S83-K117 WeakPolarHBondContact OG-CE 3.21Å
84	I	98.9	Very high	98.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.4	175.9	65.2	152.7	0	0	0	112.9	Y82 N116 K117 C118 R124 V125 V126	Y82-I84 HydrophobicContact CE2-CG2 4.01Å; I84-N116 PolarHBondContact N-O 2.97Å; I84-K117 WeakPolarHBondContact CD1-O 3.11Å; I84-K117 WeakPolarHBondContact CG1-O 3.04Å; I84-C118 HydrophobicContact CD1-CB 4.45Å; I84-R124 HydrophobicContact CD1-CB 4.07Å; I84-R124 HydrophobicContact CD1-CG 4.15Å; I84-R124 VanDerWaalsContact CD1-CZ 3.45Å; I84-V125 PolarHBondContact O-N 3.43Å; I84-V126 PolarHBondContact O-N 2.84Å
85	T	98.8	Very high	98.1	Very high	33 Å²	33	30.5 Å²	30.5	20%	0.202	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	0.3	179.1	68	0	0	0	0	114	S83 L120 E123 V125	S83-T85 PolarHBondContact O-N 3.04Å; S83-T85 PolarHBondContact OG-OG1 2.97Å; T85-L120 HydrophobicContact CG2-CB 3.76Å; T85-L120 HydrophobicContact CG2-CD1 3.97Å; T85-E123 WeakPolarHBondContact CA-O 3.41Å; T85-E123 HydrophobicContact CG2-CB 3.63Å; T85-V125 VanDerWaalsContact C-CG2 3.43Å
86	A	98.5	Very high	98	Very high	28 Å²	28	30.6 Å²	30.6	23%	0.231	17%	0.168	C	C	.	.			trans	-143	100.7	-178.7	0	0	0	0	0	112.7	S83 S88 T89	S83-A86 PolarHBondContact O-N 2.93Å; A86-S88 VanDerWaalsContact C-N 3.28Å; A86-S88 PolarHBondContact O-N 3.34Å; A86-T89 HydrophobicContact CB-CG2 3.78Å; A86-T89 PolarHBondContact O-N 3.4Å; A86-T89 VanDerWaalsContact O-N 3.08Å; A86-T89 PolarHBondContact O-OG1 3.45Å
87	Q	98.6	Very high	97.9	Very high	60 Å²	60	28.5 Å²	28.5	28%	0.28	16%	0.157	S	C	.	.	H	α-helix	trans	-58.1	-34.1	-178	-176.7	62.3	61.5	0	0	113.7	T89 F90 N91 V125 V126	Q87-T89 VanDerWaalsContact C-N 3.3Å; Q87-T89 PolarHBondContact O-N 3.13Å; Q87-F90 VanDerWaalsContact NE2-CD1 3.27Å; Q87-F90 WeakPolarHBondContact O-CB 3.49Å; Q87-F90 PolarHBondContact O-N 3.27Å; Q87-N91 PolarHBondContact NE2-OD1 2.86Å; Q87-N91 VanDerWaalsContact O-CG 3.27Å; Q87-N91 PolarHBondContact O-N 3.2Å; Q87-N91 PolarHBondContact O-OD1 3.06Å; Q87-V125 HydrophobicContact CB-CG2 4.17Å; Q87-V126 HydrophobicContact CB-CG2 4.38Å
88	S	97.8	Very high	97.8	Very high	74 Å²	74	33.2 Å²	33.2	52%	0.517	18%	0.179	S	C	.	.	H	α-helix	trans	-58.2	-42.7	175.9	50.6	0	0	0	0	112	A86 F90 N91 D92	A86-S88 VanDerWaalsContact C-N 3.28Å; A86-S88 PolarHBondContact O-N 3.34Å; S88-F90 PolarHBondContact O-N 2.86Å; S88-N91 WeakPolarHBondContact O-CB 3.38Å; S88-N91 PolarHBondContact O-N 2.98Å; S88-D92 VanDerWaalsContact O-CG 3.3Å; S88-D92 PolarHBondContact O-N 3.46Å
89	T	98.4	Very high	97.7	Very high	10 Å²	10	34.8 Å²	34.8	6%	0.061	19%	0.186	C	C	.	.	H	α-helix	trans	-66.4	-23.9	-179	72	0	0	0	0	113.5	V14 Y82 S83 A86 Q87 L93	V14-T89 HydrophobicContact CG1-CG2 3.73Å; Y82-T89 WeakPolarHBondContact CB-O 3.23Å; S83-T89 PolarHBondContact N-OG1 3.28Å; A86-T89 HydrophobicContact CB-CG2 3.78Å; A86-T89 PolarHBondContact O-N 3.4Å; A86-T89 VanDerWaalsContact O-N 3.08Å; A86-T89 PolarHBondContact O-OG1 3.45Å; Q87-T89 VanDerWaalsContact C-N 3.3Å; Q87-T89 PolarHBondContact O-N 3.13Å; T89-L93 WeakPolarHBondContact O-CG 3.4Å
90	F	98.7	Very high	97.6	Very high	22 Å²	22	34.7 Å²	34.7	10%	0.096	19%	0.186	C	C	.	.	H	α-helix	trans	-75.5	-43.1	171.8	175.1	-95.3	0	0	0	111.2	Y82 Q87 S88 D92 L93 V126 Q130 L134	Y82-F90 AromaticContact CD1-CD2 3.86Å; Y82-F90 HydrophobicContact CD1-CD2 3.86Å; Y82-F90 HydrophobicContact CD2-CB 3.92Å; Y82-F90 AromaticContact CD2-CD2 3.9Å; Y82-F90 HydrophobicContact CD2-CD2 3.9Å; Y82-F90 HydrophobicContact CD2-CG 4.4Å; Y82-F90 AromaticContact CE1-CD2 3.8Å; Y82-F90 HydrophobicContact CE1-CD2 3.8Å; Y82-F90 HydrophobicContact CE1-CE2 4.2Å; Y82-F90 AromaticContact CE2-CD2 3.87Å; Y82-F90 HydrophobicContact CE2-CD2 3.87Å; Y82-F90 HydrophobicContact CG-CB 4.08Å; Y82-F90 AromaticContact CG-CD2 3.91Å; Y82-F90 HydrophobicContact CG-CD2 3.91Å; Y82-F90 AromaticContact CZ-CD2 3.81Å; Q87-F90 VanDerWaalsContact NE2-CD1 3.27Å; Q87-F90 WeakPolarHBondContact O-CB 3.49Å; Q87-F90 PolarHBondContact O-N 3.27Å; S88-F90 PolarHBondContact O-N 2.86Å; F90-D92 VanDerWaalsContact C-N 3.33Å; F90-D92 PolarHBondContact O-N 3.4Å; F90-L93 PolarHBondContact O-N 3.17Å; F90-V126 HydrophobicContact CB-CG1 4.4Å; F90-V126 HydrophobicContact CB-CG2 4.14Å; F90-V126 HydrophobicContact CD2-CG1 3.91Å; F90-V126 HydrophobicContact CE2-CG1 4.27Å; F90-V126 HydrophobicContact CG-CG1 4.07Å; F90-Q130 HydrophobicContact CZ-CB 4.15Å; F90-L134 HydrophobicContact CD2-CD2 4.29Å; F90-L134 HydrophobicContact CE1-CD2 4.07Å; F90-L134 HydrophobicContact CE2-CB 4.22Å; F90-L134 HydrophobicContact CE2-CD2 3.53Å; F90-L134 HydrophobicContact CZ-CB 3.78Å; F90-L134 HydrophobicContact CZ-CD2 3.43Å; F90-L134 VanDerWaalsContact CZ-CD2 3.43Å; F90-L134 HydrophobicContact CZ-CG 4.18Å
91	N	97.8	Very high	97.5	Very high	94 Å²	94	35.7 Å²	35.7	50%	0.503	19%	0.191	S	C	.	.	H	α-helix	trans	-64.2	-38.4	-179.1	-60.5	-13.7	0	0	0	111.8	Q87 S88 L93 Q94	Q87-N91 PolarHBondContact NE2-OD1 2.86Å; Q87-N91 VanDerWaalsContact O-CG 3.27Å; Q87-N91 PolarHBondContact O-N 3.2Å; Q87-N91 PolarHBondContact O-OD1 3.06Å; S88-N91 WeakPolarHBondContact O-CB 3.38Å; S88-N91 PolarHBondContact O-N 2.98Å; N91-L93 PolarHBondContact O-N 3.28Å; N91-L93 VanDerWaalsContact O-N 3.11Å; N91-Q94 PolarHBondContact O-N 2.83Å
92	D	96	Very high	97.4	Very high	62 Å²	62	44 Å²	44	33%	0.332	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.9	179.3	-65.8	-10.7	0	0	0	113.5	S11 S88 F90 Q94 L96	S11-D92 PolarHBondContact OG-OD2 2.93Å; S88-D92 VanDerWaalsContact O-CG 3.3Å; S88-D92 PolarHBondContact O-N 3.46Å; F90-D92 VanDerWaalsContact C-N 3.33Å; F90-D92 PolarHBondContact O-N 3.4Å; D92-Q94 VanDerWaalsContact C-N 3.31Å; D92-Q94 PolarHBondContact O-N 3.48Å; D92-L96 PolarHBondContact O-N 3.37Å
93	L	97.8	Very high	97.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-72.4	-22.2	-174.2	-60.8	-174	0	0	0	113.8	L80 Y82 T89 F90 N91 L96 R97 L113 W138	L80-L93 HydrophobicContact CB-CD1 4.25Å; L80-L93 HydrophobicContact CB-CD2 4.19Å; Y82-L93 HydrophobicContact CD1-CD1 3.74Å; Y82-L93 HydrophobicContact CG-CD1 4.22Å; T89-L93 WeakPolarHBondContact O-CG 3.4Å; F90-L93 PolarHBondContact O-N 3.17Å; N91-L93 PolarHBondContact O-N 3.28Å; N91-L93 VanDerWaalsContact O-N 3.11Å; L93-L96 HydrophobicContact CD2-CD1 3.88Å; L93-L96 PolarHBondContact O-N 3.44Å; L93-R97 WeakPolarHBondContact O-CB 3.14Å; L93-R97 PolarHBondContact O-N 2.87Å; L93-L113 HydrophobicContact CD1-CD1 3.28Å; L93-W138 HydrophobicContact CB-CH2 3.79Å; L93-W138 HydrophobicContact CB-CZ2 4.43Å
94	Q	96.9	Very high	97.2	Very high	62 Å²	62	48.4 Å²	48.4	29%	0.29	24%	0.244	S	C	.	.	H	α-helix	trans	-62.6	-50.6	176.9	180	64.9	20.1	0	0	110.7	N91 D92 L96 R97 E98	N91-Q94 PolarHBondContact O-N 2.83Å; D92-Q94 VanDerWaalsContact C-N 3.31Å; D92-Q94 PolarHBondContact O-N 3.48Å; Q94-L96 VanDerWaalsContact C-N 3.31Å; Q94-L96 PolarHBondContact O-N 3.49Å; Q94-R97 WeakPolarHBondContact O-CB 3.34Å; Q94-R97 PolarHBondContact O-N 3.35Å; Q94-R97 VanDerWaalsContact O-N 3.17Å; Q94-E98 PolarHBondContact NE2-OE1 3.15Å; Q94-E98 WeakPolarHBondContact O-CG 3.34Å; Q94-E98 PolarHBondContact O-N 3.25Å
95	D	94.6	Very high	97.1	Very high	115 Å²	115	55.6 Å²	55.6	62%	0.615	28%	0.282	S	S	*	.	H	α-helix	trans	-62.6	-40.2	179.4	-66.9	-6.9	0	0	0	111.2	E98 Q99	D95-E98 PolarHBondContact O-N 2.69Å; D95-Q99 WeakPolarHBondContact O-CB 3.47Å; D95-Q99 PolarHBondContact O-N 2.98Å
96	L	95	Very high	96.9	Very high	4 Å²	4	57 Å²	57	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-60.2	-46.5	174.1	-87.7	-179.9	0	0	0	112.3	L9 T61 M72 L80 D92 L93 Q94 Q99 I100	L9-L96 HydrophobicContact CB-CD1 4.16Å; T61-L96 HydrophobicContact CG2-CD1 3.23Å; T61-L96 HydrophobicContact CG2-CD2 3.9Å; T61-L96 HydrophobicContact CG2-CG 3.61Å; M72-L96 HydrophobicContact CE-CD2 4.01Å; L80-L96 HydrophobicContact CD2-CB 4.38Å; D92-L96 PolarHBondContact O-N 3.37Å; L93-L96 HydrophobicContact CD2-CD1 3.88Å; L93-L96 PolarHBondContact O-N 3.44Å; Q94-L96 VanDerWaalsContact C-N 3.31Å; Q94-L96 PolarHBondContact O-N 3.49Å; L96-Q99 PolarHBondContact O-N 3.16Å; L96-I100 VanDerWaalsContact O-CG1 3.3Å; L96-I100 WeakPolarHBondContact O-CG1 3.28Å; L96-I100 PolarHBondContact O-N 2.97Å
97	R	97.1	Very high	96.7	Very high	31 Å²	31	61.3 Å²	61.3	12%	0.117	31%	0.31	C	S	.	.	H	α-helix	trans	-60.1	-49.2	177.6	173	177.7	175.1	-86.1	0.2	110.4	L80 L93 Q94 Q99 I100 L101 M111 W138	L80-R97 HydrophobicContact CD2-CB 3.95Å; L93-R97 WeakPolarHBondContact O-CB 3.14Å; L93-R97 PolarHBondContact O-N 2.87Å; Q94-R97 WeakPolarHBondContact O-CB 3.34Å; Q94-R97 PolarHBondContact O-N 3.35Å; Q94-R97 VanDerWaalsContact O-N 3.17Å; R97-Q99 VanDerWaalsContact C-N 3.28Å; R97-Q99 PolarHBondContact O-N 3.41Å; R97-I100 WeakPolarHBondContact O-CB 3.5Å; R97-I100 PolarHBondContact O-N 3.35Å; R97-I100 VanDerWaalsContact O-N 3.12Å; R97-L101 HydrophobicContact CG-CD1 4.21Å; R97-L101 HydrophobicContact CG-CG 4.31Å; R97-L101 WeakPolarHBondContact O-CG 3.18Å; R97-L101 PolarHBondContact O-N 2.87Å; R97-M111 HydrophobicContact CG-CE 4.17Å; R97-M111 HydrophobicContact CG-SD 4.06Å; R97-W138 HydrophobicContact CB-CH2 4.3Å; R97-W138 HydrophobicContact CB-CZ2 4.18Å; R97-W138 VanDerWaalsContact NE-CG 3.27Å
98	E	96.3	Very high	96.4	Very high	99 Å²	99	63.4 Å²	63.4	46%	0.463	32%	0.323	S	S	.	.	H	α-helix	trans	-59.4	-40.4	179.9	-71.4	179	-172.3	0	0	111.9	Q94 D95 L101 R102	Q94-E98 PolarHBondContact NE2-OE1 3.15Å; Q94-E98 WeakPolarHBondContact O-CG 3.34Å; Q94-E98 PolarHBondContact O-N 3.25Å; D95-E98 PolarHBondContact O-N 2.69Å; E98-L101 PolarHBondContact O-N 2.93Å; E98-R102 WeakPolarHBondContact O-CB 3.15Å; E98-R102 PolarHBondContact O-N 2.96Å
99	Q	95.4	Very high	96.4	Very high	33 Å²	33	60.6 Å²	60.6	15%	0.154	30%	0.303	C	S	.	.	H	α-helix	trans	-61.9	-44.5	174	-169.3	178.9	-1.4	0	0	111.9	D69 M72 D95 L96 R97 R102 V103	D69-Q99 PolarHBondContact OD1-NE2 3.33Å; M72-Q99 HydrophobicContact CE-CB 4.24Å; M72-Q99 HydrophobicContact CE-CG 4.06Å; M72-Q99 HydrophobicContact SD-CB 4.16Å; M72-Q99 HydrophobicContact SD-CG 3.63Å; D95-Q99 WeakPolarHBondContact O-CB 3.47Å; D95-Q99 PolarHBondContact O-N 2.98Å; L96-Q99 PolarHBondContact O-N 3.16Å; R97-Q99 VanDerWaalsContact C-N 3.28Å; R97-Q99 PolarHBondContact O-N 3.41Å; Q99-R102 PolarHBondContact O-N 3.1Å; Q99-V103 HydrophobicContact CG-CG2 4.42Å; Q99-V103 VanDerWaalsContact O-CG2 3.31Å; Q99-V103 WeakPolarHBondContact O-CG2 3.27Å; Q99-V103 PolarHBondContact O-N 2.8Å
100	I	96.8	Very high	96.4	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.1	-49.3	177.4	-68	162.2	0	0	0	110.5	L9 M72 F78 L80 L96 R97 R102 V103 K104 V109 M111	L9-I100 HydrophobicContact CD1-CD1 3.75Å; L9-I100 HydrophobicContact CD1-CG1 4.29Å; M72-I100 HydrophobicContact CE-CG1 3.84Å; M72-I100 HydrophobicContact CG-CG1 3.98Å; M72-I100 HydrophobicContact SD-CG1 3.8Å; F78-I100 HydrophobicContact CB-CD1 4.13Å; F78-I100 HydrophobicContact CD1-CD1 4.04Å; F78-I100 HydrophobicContact CD1-CG1 4.35Å; F78-I100 HydrophobicContact CD1-CG2 4.49Å; F78-I100 HydrophobicContact CD2-CG2 3.89Å; F78-I100 HydrophobicContact CE2-CG2 3.94Å; F78-I100 HydrophobicContact CG-CD1 4.06Å; F78-I100 HydrophobicContact CG-CG2 4.18Å; F78-I100 HydrophobicContact CZ-CG2 4.29Å; L80-I100 HydrophobicContact CD1-CD1 3.73Å; L80-I100 HydrophobicContact CD2-CD1 4.4Å; L80-I100 HydrophobicContact CG-CD1 4.4Å; L96-I100 VanDerWaalsContact O-CG1 3.3Å; L96-I100 WeakPolarHBondContact O-CG1 3.28Å; L96-I100 PolarHBondContact O-N 2.97Å; R97-I100 WeakPolarHBondContact O-CB 3.5Å; R97-I100 PolarHBondContact O-N 3.35Å; R97-I100 VanDerWaalsContact O-N 3.12Å; I100-R102 VanDerWaalsContact C-N 3.31Å; I100-R102 PolarHBondContact O-N 2.91Å; I100-V103 PolarHBondContact O-N 2.93Å; I100-K104 HydrophobicContact CG2-CG 4.2Å; I100-K104 VanDerWaalsContact O-CB 3.29Å; I100-K104 WeakPolarHBondContact O-CB 2.83Å; I100-K104 VanDerWaalsContact O-CG 3.3Å; I100-K104 WeakPolarHBondContact O-CG 3.38Å; I100-K104 PolarHBondContact O-N 3.11Å; I100-V109 HydrophobicContact CG2-CG1 3.99Å; I100-M111 HydrophobicContact CB-CE 4.22Å; I100-M111 HydrophobicContact CD1-CE 3.88Å; I100-M111 HydrophobicContact CG2-CE 3.91Å
101	L	97.8	Very high	96.4	Very high	20 Å²	20	60 Å²	60	11%	0.105	30%	0.301	C	S	.	.	H	α-helix	trans	-61.5	-41.5	-179.2	-61.8	-175.9	0	0	0	111.3	R97 E98 K104 D105 T106 V109	R97-L101 HydrophobicContact CG-CD1 4.21Å; R97-L101 HydrophobicContact CG-CG 4.31Å; R97-L101 WeakPolarHBondContact O-CG 3.18Å; R97-L101 PolarHBondContact O-N 2.87Å; E98-L101 PolarHBondContact O-N 2.93Å; L101-K104 PolarHBondContact O-N 3.4Å; L101-D105 PolarHBondContact O-N 2.66Å; L101-T106 WeakPolarHBondContact CD2-O 3.21Å; L101-T106 PolarHBondContact O-N 3.34Å; L101-V109 HydrophobicContact CD2-CB 4.15Å; L101-V109 HydrophobicContact CD2-CG2 3.73Å
102	R	97.2	Very high	96.5	Very high	176 Å²	176	55.5 Å²	55.5	66%	0.664	28%	0.277	S	S	*	.	H	α-helix	trans	-62.5	-45.8	175.4	-175.6	-177.5	68.8	-164.1	1.4	112.5	E98 Q99 I100 K104 D105	E98-R102 WeakPolarHBondContact O-CB 3.15Å; E98-R102 PolarHBondContact O-N 2.96Å; Q99-R102 PolarHBondContact O-N 3.1Å; I100-R102 VanDerWaalsContact C-N 3.31Å; I100-R102 PolarHBondContact O-N 2.91Å; R102-K104 VanDerWaalsContact C-N 3.3Å; R102-K104 PolarHBondContact O-N 3.39Å; R102-D105 PolarHBondContact O-N 3.4Å
103	V	96.8	Very high	96.6	Very high	37 Å²	37	52.6 Å²	52.6	22%	0.224	26%	0.261	C	S	.	.	H	α-helix	trans	-68.8	-32.2	179.2	172.4	0	0	0	0	111.4	D69 M72 K73 Q99 I100	D69-V103 HydrophobicContact CB-CG2 4.22Å; M72-V103 HydrophobicContact CB-CB 4.04Å; M72-V103 HydrophobicContact CB-CG1 3.73Å; M72-V103 HydrophobicContact CB-CG2 4.36Å; M72-V103 HydrophobicContact SD-CG2 4.35Å; K73-V103 HydrophobicContact CB-CG1 3.96Å; Q99-V103 HydrophobicContact CG-CG2 4.42Å; Q99-V103 VanDerWaalsContact O-CG2 3.31Å; Q99-V103 WeakPolarHBondContact O-CG2 3.27Å; Q99-V103 PolarHBondContact O-N 2.8Å; I100-V103 PolarHBondContact O-N 2.93Å
104	K	96.3	Very high	96.7	Very high	56 Å²	56	52.6 Å²	52.6	24%	0.243	26%	0.261	C	S	.	.	H	α-helix	trans	-80.2	-21	177.2	-73.2	-52.9	-162.5	-169	0	114.4	M72 K73 G75 I100 L101 R102 T106 V109	M72-K104 WeakPolarHBondContact O-CE 3.41Å; M72-K104 PolarHBondContact O-NZ 2.95Å; K73-K104 PolarHBondContact O-NZ 3.3Å; G75-K104 WeakPolarHBondContact O-CE 3.42Å; G75-K104 PolarHBondContact O-NZ 2.92Å; I100-K104 HydrophobicContact CG2-CG 4.2Å; I100-K104 VanDerWaalsContact O-CB 3.29Å; I100-K104 WeakPolarHBondContact O-CB 2.83Å; I100-K104 VanDerWaalsContact O-CG 3.3Å; I100-K104 WeakPolarHBondContact O-CG 3.38Å; I100-K104 PolarHBondContact O-N 3.11Å; L101-K104 PolarHBondContact O-N 3.4Å; R102-K104 VanDerWaalsContact C-N 3.3Å; R102-K104 PolarHBondContact O-N 3.39Å; K104-T106 HydrophobicContact CB-CG2 3.89Å; K104-T106 PolarHBondContact O-N 3.38Å; K104-V109 HydrophobicContact CB-CG2 3.71Å; K104-V109 HydrophobicContact CG-CG1 4.21Å; K104-V109 HydrophobicContact CG-CG2 3.79Å
105	D	96.7	Very high	96.8	Very high	151 Å²	151	49.6 Å²	49.6	81%	0.807	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	40.4	-175.3	-162.1	33.6	0	0	0	112.2	L101 R102	L101-D105 PolarHBondContact O-N 2.66Å; R102-D105 PolarHBondContact O-N 3.4Å
106	T	95.4	Very high	97	Very high	64 Å²	64	44.3 Å²	44.3	39%	0.393	22%	0.219	S	C	.	.			trans	-161.4	142	176.7	171.2	0	0	0	0	110.8	L101 K104 D108 V109	L101-T106 WeakPolarHBondContact CD2-O 3.21Å; L101-T106 PolarHBondContact O-N 3.34Å; K104-T106 HydrophobicContact CB-CG2 3.89Å; K104-T106 PolarHBondContact O-N 3.38Å; T106-D108 VanDerWaalsContact C-N 3.31Å; T106-D108 PolarHBondContact OG1-N 2.79Å; T106-D108 VanDerWaalsContact OG1-N 3.15Å; T106-D108 PolarHBondContact OG1-O 2.86Å; T106-V109 HydrophobicContact CG2-CG2 3.83Å; T106-V109 WeakPolarHBondContact O-CG2 3.48Å
107	D	92.8	Very high	97.2	Very high	118 Å²	118	46.8 Å²	46.8	63%	0.631	23%	0.23	S	C	*	.	S	Bend	trans	-78.5	-16.5	174.2	-70.9	-38.8	0	0	0	113.6
108	D	93.8	Very high	97.2	Very high	103 Å²	103	46.2 Å²	46.2	55%	0.551	23%	0.23	S	C	*	.			trans	-102.6	91.5	-179.5	-174.7	2.9	0	0	0	108.3	T106 K168	T106-D108 VanDerWaalsContact C-N 3.31Å; T106-D108 PolarHBondContact OG1-N 2.79Å; T106-D108 VanDerWaalsContact OG1-N 3.15Å; T106-D108 PolarHBondContact OG1-O 2.86Å; D108-K168 VanDerWaalsContact C-NZ 3.27Å; D108-K168 WeakPolarHBondContact O-CE 3.44Å; D108-K168 PolarHBondContact O-NZ 2.74Å; D108-K168 IonicContact OD1-NZ 2.73Å; D108-K168 PolarHBondContact OD1-NZ 2.54Å; D108-K168 IonicContact OD2-NZ 2.67Å; D108-K168 PolarHBondContact OD2-NZ 2.89Å
109	V	97.5	Very high	97.3	Very high	15 Å²	15	43.9 Å²	43.9	9%	0.091	22%	0.221	C	C	.	.			trans	-123.9	131.1	179.5	178.4	0	0	0	0	108.9	F78 I100 L101 K104 T106 M111	F78-V109 HydrophobicContact CD2-CG1 3.53Å; F78-V109 HydrophobicContact CE2-CG1 3.63Å; I100-V109 HydrophobicContact CG2-CG1 3.99Å; L101-V109 HydrophobicContact CD2-CB 4.15Å; L101-V109 HydrophobicContact CD2-CG2 3.73Å; K104-V109 HydrophobicContact CB-CG2 3.71Å; K104-V109 HydrophobicContact CG-CG1 4.21Å; K104-V109 HydrophobicContact CG-CG2 3.79Å; T106-V109 HydrophobicContact CG2-CG2 3.83Å; T106-V109 WeakPolarHBondContact O-CG2 3.48Å; V109-M111 WeakPolarHBondContact O-CB 3.49Å; V109-M111 PolarHBondContact O-N 2.89Å
110	P	98.5	Very high	97.5	Very high	12 Å²	12	44.5 Å²	44.5	8%	0.078	23%	0.225	C	C	.	.			trans	-56	114.7	174.3	-27.7	37.2	0	0	0	111.6	Q76 G77 F78 Q164 I165 K168	Q76-P110 WeakPolarHBondContact O-CB 3.49Å; Q76-P110 WeakPolarHBondContact O-CG 3.36Å; G77-P110 WeakPolarHBondContact CA-O 3.43Å; F78-P110 PolarHBondContact N-O 3.28Å; P110-Q164 VanDerWaalsContact CA-OE1 3.27Å; P110-Q164 HydrophobicContact CB-CB 3.83Å; P110-Q164 HydrophobicContact CG-CB 4.47Å; P110-I165 HydrophobicContact CB-CG1 3.83Å; P110-I165 HydrophobicContact CG-CG1 3.82Å; P110-K168 HydrophobicContact CG-CD 3.57Å
111	M	98.7	Very high	97.5	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.039	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	143	-169.1	-171.3	176.3	-69.7	0	0	110.9	F78 L80 R97 I100 V109 C141 Q164	F78-M111 VanDerWaalsContact O-CA 3.31Å; F78-M111 WeakPolarHBondContact O-CA 3.42Å; L80-M111 HydrophobicContact CD1-CE 4.05Å; L80-M111 HydrophobicContact CD1-CG 3.81Å; L80-M111 HydrophobicContact CD1-SD 3.93Å; L80-M111 HydrophobicContact CD2-CE 4.46Å; L80-M111 HydrophobicContact CD2-SD 3.98Å; R97-M111 HydrophobicContact CG-CE 4.17Å; R97-M111 HydrophobicContact CG-SD 4.06Å; I100-M111 HydrophobicContact CB-CE 4.22Å; I100-M111 HydrophobicContact CD1-CE 3.88Å; I100-M111 HydrophobicContact CG2-CE 3.91Å; V109-M111 WeakPolarHBondContact O-CB 3.49Å; V109-M111 PolarHBondContact O-N 2.89Å; M111-C141 PolarHBondContact O-SG 2.97Å; M111-C141 VanDerWaalsContact O-SG 3.37Å; M111-Q164 PolarHBondContact O-NE2 2.99Å; M111-Q164 PolarHBondContact O-OE1 2.83Å
112	I	98.9	Very high	97.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.4	170.6	-173	171.5	0	0	0	110.2	F78 A79 L80 V114 A142 L144 I157 D160 L161	F78-I112 PolarHBondContact O-N 2.99Å; A79-I112 HydrophobicContact CB-CG2 4.01Å; L80-I112 PolarHBondContact N-O 3.2Å; I112-V114 HydrophobicContact CG1-CG2 4.2Å; I112-V114 HydrophobicContact CG2-CG2 4.06Å; I112-A142 HydrophobicContact CB-CB 4.17Å; I112-A142 HydrophobicContact CD1-CB 4.25Å; I112-A142 HydrophobicContact CG1-CB 3.85Å; I112-L144 HydrophobicContact CD1-CB 4.39Å; I112-L144 HydrophobicContact CD1-CD1 3.76Å; I112-L144 HydrophobicContact CD1-CG 3.99Å; I112-I157 HydrophobicContact CD1-CG1 4.45Å; I112-I157 HydrophobicContact CG2-CG2 3.96Å; I112-D160 HydrophobicContact CD1-CB 4.26Å; I112-L161 HydrophobicContact CB-CD2 4.34Å; I112-L161 HydrophobicContact CG2-CD1 4.07Å; I112-L161 HydrophobicContact CG2-CD2 3.88Å; I112-L161 HydrophobicContact CG2-CG 3.85Å
113	L	98.9	Very high	97.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	127.6	169.9	177.7	62.1	0	0	0	109.5	Y82 L93 G131 L134 A135 W138 A142 F143 L144	Y82-L113 HydrophobicContact CD1-CD1 3.82Å; Y82-L113 HydrophobicContact CD1-CG 4.5Å; Y82-L113 HydrophobicContact CE1-CD1 3.91Å; Y82-L113 HydrophobicContact CE1-CG 4.1Å; L93-L113 HydrophobicContact CD1-CD1 3.28Å; L113-G131 WeakPolarHBondContact CD2-O 3.39Å; L113-L134 HydrophobicContact CD2-CB 4.11Å; L113-L134 HydrophobicContact CD2-CD2 3.97Å; L113-L134 HydrophobicContact CD2-CG 4.2Å; L113-A135 HydrophobicContact CD2-CB 4.18Å; L113-W138 HydrophobicContact CB-CZ3 4.17Å; L113-W138 HydrophobicContact CD1-CH2 4.18Å; L113-W138 HydrophobicContact CD1-CZ3 3.87Å; L113-W138 HydrophobicContact CD2-CZ3 4.32Å; L113-W138 HydrophobicContact CG-CZ3 4.34Å; L113-A142 PolarHBondContact N-O 3.34Å; L113-F143 HydrophobicContact CB-CD2 4.18Å; L113-F143 HydrophobicContact CD2-CD2 3.94Å; L113-F143 HydrophobicContact CD2-CE2 4.48Å; L113-F143 HydrophobicContact CG-CD2 3.88Å; L113-F143 HydrophobicContact CG-CE2 4.44Å; L113-F143 WeakPolarHBondContact O-CA 3.49Å; L113-F143 WeakPolarHBondContact O-CD2 3.35Å; L113-L144 PolarHBondContact O-N 3.29Å; L113-L144 VanDerWaalsContact O-N 3.09Å
114	V	99	Very high	97.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	112.2	-173.5	-176.1	0	0	0	0	111	L19 L80 V81 Y82 I112 N116 L144 S146 I157	L19-V114 HydrophobicContact CD1-CG1 4.19Å; L80-V114 PolarHBondContact O-N 2.64Å; V81-V114 WeakPolarHBondContact CA-O 3.42Å; V81-V114 HydrophobicContact CG1-CB 4.46Å; V81-V114 HydrophobicContact CG1-CG1 4.39Å; V81-V114 HydrophobicContact CG2-CB 4.18Å; Y82-V114 VanDerWaalsContact CD1-O 3.23Å; Y82-V114 WeakPolarHBondContact CD1-O 3.3Å; Y82-V114 PolarHBondContact N-O 2.63Å; I112-V114 HydrophobicContact CG1-CG2 4.2Å; I112-V114 HydrophobicContact CG2-CG2 4.06Å; V114-N116 PolarHBondContact O-N 3.4Å; V114-L144 WeakPolarHBondContact CA-O 3.46Å; V114-S146 WeakPolarHBondContact CG1-OG 3.39Å; V114-I157 HydrophobicContact CB-CD1 4.49Å; V114-I157 HydrophobicContact CG1-CD1 3.6Å; V114-I157 HydrophobicContact CG1-CG1 4.26Å; V114-I157 HydrophobicContact CG2-CD1 4.03Å; V114-I157 HydrophobicContact CG2-CG1 3.9Å; V114-I157 HydrophobicContact CG2-CG2 4.06Å
115	G	98.9	Very high	97.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	94.1	168.3	0	0	0	0	0	110.8	L144 E145 S146	G115-L144 PolarHBondContact N-O 2.82Å; G115-E145 CarbonylContact O-C 3.57Å; G115-E145 WeakPolarHBondContact O-CA 3.32Å; G115-S146 PolarHBondContact O-N 2.87Å
116	N	98.9	Very high	98	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	164.7	-177.2	-170.4	33.7	0	0	0	112.5	V14 L19 V81 Y82 I84 V114 S146 A148	V14-N116 PolarHBondContact O-ND2 2.77Å; L19-N116 HydrophobicContact CD1-CB 4.2Å; V81-N116 HydrophobicContact CG1-CB 3.73Å; Y82-N116 PolarHBondContact O-N 3.1Å; I84-N116 PolarHBondContact N-O 2.97Å; V114-N116 PolarHBondContact O-N 3.4Å; N116-S146 CarbonylContact C-O 3.57Å; N116-S146 VanDerWaalsContact CA-O 3.31Å; N116-S146 WeakPolarHBondContact CA-O 3.24Å; N116-S146 PolarHBondContact OD1-O 2.91Å; N116-S146 PolarHBondContact OD1-OG 3.26Å; N116-A148 PolarHBondContact OD1-N 3.09Å
117	K	98.7	Very high	98.1	Very high	56 Å²	56	46.5 Å²	46.5	24%	0.243	25%	0.246	C	C	.	.			trans	69	34.9	-177.4	-45.7	-170.7	-165.4	170.6	0	113.8	G13 S83 I84 D119 L120 S146	G13-K117 VanDerWaalsContact O-CE 3.26Å; G13-K117 WeakPolarHBondContact O-CE 3.33Å; G13-K117 PolarHBondContact O-NZ 3.11Å; S83-K117 WeakPolarHBondContact OG-CD 3.31Å; S83-K117 WeakPolarHBondContact OG-CE 3.21Å; I84-K117 WeakPolarHBondContact CD1-O 3.11Å; I84-K117 WeakPolarHBondContact CG1-O 3.04Å; K117-D119 WeakPolarHBondContact CA-OD1 3.41Å; K117-D119 PolarHBondContact O-N 3.28Å; K117-L120 HydrophobicContact CB-CD1 4.02Å; K117-L120 HydrophobicContact CB-CG 4.29Å; K117-L120 HydrophobicContact CD-CD1 4Å; K117-L120 WeakPolarHBondContact O-CB 3.47Å; K117-L120 PolarHBondContact O-N 2.98Å; K117-S146 PolarHBondContact N-O 2.94Å
118	C	98.7	Very high	98.4	Very high	20 Å²	20	46 Å²	46	14%	0.135	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-4	176.6	76.1	0	0	0	0	114.4	I84 L120 E145 S146	I84-C118 HydrophobicContact CD1-CB 4.45Å; C118-L120 VanDerWaalsContact C-N 3.29Å; C118-E145 HydrophobicContact CB-CB 4.08Å; C118-S146 PolarHBondContact N-O 3.38Å; C118-S146 PolarHBondContact SG-O 3Å; C118-S146 VanDerWaalsContact SG-O 3.35Å
119	D	98.6	Very high	98.6	Very high	49 Å²	49	48 Å²	48	26%	0.262	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-17.5	166.4	56.9	-69.6	0	0	0	113.5	K117 E121 S147 K149 S150	K117-D119 WeakPolarHBondContact CA-OD1 3.41Å; K117-D119 PolarHBondContact O-N 3.28Å; D119-E121 PolarHBondContact O-N 3.45Å; D119-S147 WeakPolarHBondContact CB-OG 3.47Å; D119-S147 VanDerWaalsContact OD1-CB 3.23Å; D119-S147 WeakPolarHBondContact OD1-CB 3.41Å; D119-S147 PolarHBondContact OD1-OG 3.05Å; D119-K149 WeakPolarHBondContact OD2-CD 3.44Å; D119-S150 WeakPolarHBondContact CB-OG 3.2Å
120	L	98.3	Very high	98.6	Very high	46 Å²	46	50.9 Å²	50.9	24%	0.241	26%	0.256	C	S	.	.			trans	-97.1	52.2	179.5	-56.2	-179.5	0	0	0	111.3	T85 K117 C118 D122 E123 R124	T85-L120 HydrophobicContact CG2-CB 3.76Å; T85-L120 HydrophobicContact CG2-CD1 3.97Å; K117-L120 HydrophobicContact CB-CD1 4.02Å; K117-L120 HydrophobicContact CB-CG 4.29Å; K117-L120 HydrophobicContact CD-CD1 4Å; K117-L120 WeakPolarHBondContact O-CB 3.47Å; K117-L120 PolarHBondContact O-N 2.98Å; C118-L120 VanDerWaalsContact C-N 3.29Å; L120-D122 VanDerWaalsContact C-N 3.29Å; L120-D122 PolarHBondContact O-N 3.43Å; L120-E123 HydrophobicContact CB-CB 4.24Å; L120-E123 PolarHBondContact O-N 3.44Å; L120-R124 PolarHBondContact O-N 3.46Å
121	E	98.3	Very high	98.7	Very high	106 Å²	106	50.3 Å²	50.3	50%	0.495	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-60.7	-37.3	-174.1	-167.3	62.7	-153.7	0	0	112.5	D119 E123 R124	D119-E121 PolarHBondContact O-N 3.45Å; E121-E123 PolarHBondContact O-N 2.95Å; E121-R124 WeakPolarHBondContact O-CB 3.17Å; E121-R124 PolarHBondContact O-N 3.36Å; E121-R124 VanDerWaalsContact O-N 3.08Å; E121-R124 WeakPolarHBondContact OE1-CD 3.32Å; E121-R124 IonicContact OE1-CZ 2.86Å; E121-R124 IonicContact OE1-NE 3.65Å; E121-R124 PolarHBondContact OE1-NE 2.82Å; E121-R124 IonicContact OE1-NH2 3.49Å; E121-R124 IonicContact OE2-CZ 3.37Å; E121-R124 VanDerWaalsContact OE2-CZ 3.3Å; E121-R124 IonicContact OE2-NE 3.46Å; E121-R124 PolarHBondContact OE2-NE 3.34Å; E121-R124 IonicContact OE2-NH2 2.7Å; E121-R124 PolarHBondContact OE2-NH2 3.14Å
122	D	98.4	Very high	98.6	Very high	172 Å²	172	53.1 Å²	53.1	92%	0.92	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-66.4	-18.5	177.5	-63.1	-33.3	0	0	0	113.2	L120	L120-D122 VanDerWaalsContact C-N 3.29Å; L120-D122 PolarHBondContact O-N 3.43Å
123	E	98.6	Very high	98.6	Very high	113 Å²	113	56.3 Å²	56.3	53%	0.528	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-102.1	4.7	177.2	-62	178.6	-136.9	0	0	112.4	T85 L120 E121 V125	T85-E123 WeakPolarHBondContact CA-O 3.41Å; T85-E123 HydrophobicContact CG2-CB 3.63Å; L120-E123 HydrophobicContact CB-CB 4.24Å; L120-E123 PolarHBondContact O-N 3.44Å; E121-E123 PolarHBondContact O-N 2.95Å; E123-V125 PolarHBondContact O-N 2.6Å
124	R	98.7	Very high	98.6	Very high	52 Å²	52	57.2 Å²	57.2	20%	0.196	29%	0.288	C	S	.	.			trans	-63.4	126.7	-176.3	-179.2	-177.9	-70.1	-87.8	7.7	111.1	I84 L120 E121 V126 E145	I84-R124 HydrophobicContact CD1-CB 4.07Å; I84-R124 HydrophobicContact CD1-CG 4.15Å; I84-R124 VanDerWaalsContact CD1-CZ 3.45Å; L120-R124 PolarHBondContact O-N 3.46Å; E121-R124 WeakPolarHBondContact O-CB 3.17Å; E121-R124 PolarHBondContact O-N 3.36Å; E121-R124 VanDerWaalsContact O-N 3.08Å; E121-R124 WeakPolarHBondContact OE1-CD 3.32Å; E121-R124 IonicContact OE1-CZ 2.86Å; E121-R124 IonicContact OE1-NE 3.65Å; E121-R124 PolarHBondContact OE1-NE 2.82Å; E121-R124 IonicContact OE1-NH2 3.49Å; E121-R124 IonicContact OE2-CZ 3.37Å; E121-R124 VanDerWaalsContact OE2-CZ 3.3Å; E121-R124 IonicContact OE2-NE 3.46Å; E121-R124 PolarHBondContact OE2-NE 3.34Å; E121-R124 IonicContact OE2-NH2 2.7Å; E121-R124 PolarHBondContact OE2-NH2 3.14Å; R124-V126 WeakPolarHBondContact CD-O 3.3Å; R124-V126 VanDerWaalsContact CG-O 3.27Å; R124-V126 WeakPolarHBondContact CG-O 3.32Å; R124-V126 PolarHBondContact NH1-O 2.79Å; R124-E145 IonicContact CZ-OE1 2.76Å; R124-E145 IonicContact CZ-OE2 2.99Å; R124-E145 IonicContact NH1-OE1 3.7Å; R124-E145 PolarHBondContact NH1-OE1 3.2Å; R124-E145 IonicContact NH1-OE2 2.98Å; R124-E145 IonicContact NH2-OE1 3.76Å; R124-E145 PolarHBondContact NH2-OE1 3.24Å; R124-E145 IonicContact NH2-OE2 2.82Å; R124-E145 PolarHBondContact NH2-OE2 3.31Å
125	V	98.7	Very high	98.6	Very high	80 Å²	80	57.4 Å²	57.4	49%	0.485	29%	0.289	S	S	.	.			trans	-118.7	-18.3	170	-56.1	0	0	0	0	112.7	I84 T85 Q87 E123	I84-V125 PolarHBondContact O-N 3.43Å; T85-V125 VanDerWaalsContact C-CG2 3.43Å; Q87-V125 HydrophobicContact CB-CG2 4.17Å; E123-V125 PolarHBondContact O-N 2.6Å
126	V	98.7	Very high	98.6	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.316	C	S	.	.	S	Bend	trans	-103.3	111.7	174	-171.6	0	0	0	0	109	Y82 I84 Q87 F90 R124 Q130	Y82-V126 HydrophobicContact CD2-CB 4.49Å; Y82-V126 HydrophobicContact CD2-CG1 4.34Å; Y82-V126 HydrophobicContact CD2-CG2 4.36Å; Y82-V126 HydrophobicContact CE2-CB 3.9Å; Y82-V126 HydrophobicContact CE2-CG1 3.59Å; Y82-V126 HydrophobicContact CE2-CG2 4.26Å; I84-V126 PolarHBondContact O-N 2.84Å; Q87-V126 HydrophobicContact CB-CG2 4.38Å; F90-V126 HydrophobicContact CB-CG1 4.4Å; F90-V126 HydrophobicContact CB-CG2 4.14Å; F90-V126 HydrophobicContact CD2-CG1 3.91Å; F90-V126 HydrophobicContact CE2-CG1 4.27Å; F90-V126 HydrophobicContact CG-CG1 4.07Å; R124-V126 WeakPolarHBondContact CD-O 3.3Å; R124-V126 VanDerWaalsContact CG-O 3.27Å; R124-V126 WeakPolarHBondContact CG-O 3.32Å; R124-V126 PolarHBondContact NH1-O 2.79Å; V126-Q130 HydrophobicContact CG1-CB 4.15Å
127	G	98.5	Very high	98.5	Very high	24 Å²	24	71.2 Å²	71.2	25%	0.247	35%	0.347	C	S	.	.			trans	-65.3	146.2	176.6	0	0	0	0	0	112.2	E129 Q130 G131	G127-E129 PolarHBondContact O-N 3.26Å; G127-Q130 VanDerWaalsContact N-OE1 3.12Å; G127-Q130 WeakPolarHBondContact O-CB 3.4Å; G127-Q130 PolarHBondContact O-N 2.79Å; G127-G131 PolarHBondContact O-N 3.29Å
128	K	98.5	Very high	98.4	Very high	108 Å²	108	69 Å²	69	47%	0.47	34%	0.337	S	S	.	.	H	α-helix	trans	-56.7	-36.6	176.5	-173.9	172	-177	172.8	0	112.6	Q130 G131 Q132 F143 E145	K128-Q130 VanDerWaalsContact C-N 3.3Å; K128-Q130 PolarHBondContact O-N 2.84Å; K128-G131 PolarHBondContact O-N 3.3Å; K128-Q132 WeakPolarHBondContact O-CG 3.47Å; K128-Q132 PolarHBondContact O-N 2.68Å; K128-F143 HydrophobicContact CG-CE1 4Å; K128-F143 HydrophobicContact CG-CZ 4.32Å; K128-E145 WeakPolarHBondContact CA-OE1 3.42Å; K128-E145 WeakPolarHBondContact CB-OE1 3.33Å; K128-E145 HydrophobicContact CG-CG 4.32Å
129	E	98.5	Very high	98.2	Very high	143 Å²	143	73.5 Å²	73.5	67%	0.668	36%	0.359	S	S	*	.	H	α-helix	trans	-63.4	-33.2	176.2	-65.1	-169.5	167.7	0	0	112.7	G127 Q132 N133	G127-E129 PolarHBondContact O-N 3.26Å; E129-Q132 PolarHBondContact O-N 3.09Å; E129-N133 VanDerWaalsContact O-CB 3.24Å; E129-N133 WeakPolarHBondContact O-CB 3.48Å; E129-N133 PolarHBondContact O-N 2.83Å; E129-N133 PolarHBondContact O-ND2 3.46Å; E129-N133 VanDerWaalsContact O-ND2 3.15Å
130	Q	98.5	Very high	97.9	Very high	77 Å²	77	77.5 Å²	77.5	36%	0.36	38%	0.381	S	S	.	.	H	α-helix	trans	-62.6	-46.1	174.9	-68.8	168.7	-125.4	0	0	110.6	F90 V126 G127 K128 N133 L134	F90-Q130 HydrophobicContact CZ-CB 4.15Å; V126-Q130 HydrophobicContact CG1-CB 4.15Å; G127-Q130 VanDerWaalsContact N-OE1 3.12Å; G127-Q130 WeakPolarHBondContact O-CB 3.4Å; G127-Q130 PolarHBondContact O-N 2.79Å; K128-Q130 VanDerWaalsContact C-N 3.3Å; K128-Q130 PolarHBondContact O-N 2.84Å; Q130-N133 PolarHBondContact O-N 2.97Å; Q130-L134 WeakPolarHBondContact O-CB 3.07Å; Q130-L134 PolarHBondContact O-N 2.92Å
131	G	98.7	Very high	97.9	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-60.5	-46.1	174.8	0	0	0	0	0	112.7	L113 G127 K128 N133 L134 A135	L113-G131 WeakPolarHBondContact CD2-O 3.39Å; G127-G131 PolarHBondContact O-N 3.29Å; K128-G131 PolarHBondContact O-N 3.3Å; G131-N133 PolarHBondContact O-N 2.95Å; G131-L134 PolarHBondContact O-N 3.5Å; G131-A135 WeakPolarHBondContact O-CB 3.43Å; G131-A135 PolarHBondContact O-N 3.3Å
132	Q	98.6	Very high	97.9	Very high	66 Å²	66	72.7 Å²	72.7	31%	0.308	36%	0.364	S	S	.	.	H	α-helix	trans	-61.9	-42.2	176.4	-70.1	174.1	-19.1	0	0	112.6	K128 E129 A135 R136 F143	K128-Q132 WeakPolarHBondContact O-CG 3.47Å; K128-Q132 PolarHBondContact O-N 2.68Å; E129-Q132 PolarHBondContact O-N 3.09Å; Q132-A135 PolarHBondContact O-N 2.9Å; Q132-R136 VanDerWaalsContact O-CG 3.32Å; Q132-R136 WeakPolarHBondContact O-CG 3.29Å; Q132-R136 PolarHBondContact O-N 3.42Å; Q132-F143 HydrophobicContact CB-CD1 4.43Å; Q132-F143 HydrophobicContact CG-CD1 3.51Å; Q132-F143 HydrophobicContact CG-CE1 3.53Å
133	N	98.7	Very high	97.9	Very high	68 Å²	68	66.1 Å²	66.1	36%	0.364	33%	0.328	S	S	.	.	H	α-helix	trans	-68.3	-41.6	-179.9	-72.4	-25.5	0	0	0	111.5	E129 Q130 G131 R136 Q137	E129-N133 VanDerWaalsContact O-CB 3.24Å; E129-N133 WeakPolarHBondContact O-CB 3.48Å; E129-N133 PolarHBondContact O-N 2.83Å; E129-N133 PolarHBondContact O-ND2 3.46Å; E129-N133 VanDerWaalsContact O-ND2 3.15Å; Q130-N133 PolarHBondContact O-N 2.97Å; G131-N133 PolarHBondContact O-N 2.95Å; N133-R136 PolarHBondContact O-N 3.11Å; N133-R136 PolarHBondContact OD1-NH1 3.32Å; N133-Q137 VanDerWaalsContact O-CG 3.3Å; N133-Q137 WeakPolarHBondContact O-CG 3.13Å; N133-Q137 PolarHBondContact O-N 3.05Å
134	L	98.5	Very high	97.9	Very high	19 Å²	19	63.1 Å²	63.1	10%	0.099	32%	0.315	C	S	.	.	H	α-helix	trans	-61.9	-44.2	174	-175.2	64.4	0	0	0	111.3	F90 L113 Q130 G131 R136 Q137 W138	F90-L134 HydrophobicContact CD2-CD2 4.29Å; F90-L134 HydrophobicContact CE1-CD2 4.07Å; F90-L134 HydrophobicContact CE2-CB 4.22Å; F90-L134 HydrophobicContact CE2-CD2 3.53Å; F90-L134 HydrophobicContact CZ-CB 3.78Å; F90-L134 HydrophobicContact CZ-CD2 3.43Å; F90-L134 VanDerWaalsContact CZ-CD2 3.43Å; F90-L134 HydrophobicContact CZ-CG 4.18Å; L113-L134 HydrophobicContact CD2-CB 4.11Å; L113-L134 HydrophobicContact CD2-CD2 3.97Å; L113-L134 HydrophobicContact CD2-CG 4.2Å; Q130-L134 WeakPolarHBondContact O-CB 3.07Å; Q130-L134 PolarHBondContact O-N 2.92Å; G131-L134 PolarHBondContact O-N 3.5Å; L134-R136 VanDerWaalsContact C-N 3.34Å; L134-R136 PolarHBondContact O-N 3.33Å; L134-Q137 WeakPolarHBondContact O-CB 3.23Å; L134-Q137 PolarHBondContact O-N 2.73Å; L134-Q137 VanDerWaalsContact O-N 3.15Å; L134-W138 HydrophobicContact CD1-CD2 4.36Å; L134-W138 HydrophobicContact CD1-CZ2 3.82Å; L134-W138 HydrophobicContact CD2-CH2 3.79Å; L134-W138 HydrophobicContact CD2-CZ2 3.56Å; L134-W138 HydrophobicContact CD2-CZ3 4.44Å; L134-W138 HydrophobicContact CG-CD2 4.03Å; L134-W138 HydrophobicContact CG-CE3 4.5Å; L134-W138 HydrophobicContact CG-CH2 4.19Å; L134-W138 HydrophobicContact CG-CZ2 3.69Å; L134-W138 VanDerWaalsContact O-CG 3.3Å; L134-W138 PolarHBondContact O-N 3Å
135	A	98.5	Very high	97.9	Very high	3 Å²	3	61.5 Å²	61.5	3%	0.025	31%	0.31	C	S	.	.	H	α-helix	trans	-62.1	-39.6	177.1	0	0	0	0	0	112.9	L113 G131 Q132 W138 N140 C141 F143	L113-A135 HydrophobicContact CD2-CB 4.18Å; G131-A135 WeakPolarHBondContact O-CB 3.43Å; G131-A135 PolarHBondContact O-N 3.3Å; Q132-A135 PolarHBondContact O-N 2.9Å; A135-W138 CarbonylContact O-C 3.55Å; A135-W138 PolarHBondContact O-N 3.08Å; A135-N140 CarbonylContact O-C 3.54Å; A135-N140 WeakPolarHBondContact O-CA 3.4Å; A135-N140 PolarHBondContact O-N 2.92Å; A135-C141 HydrophobicContact CB-CB 4.4Å; A135-C141 WeakPolarHBondContact CB-O 3.34Å; A135-C141 PolarHBondContact O-N 3.06Å; A135-F143 HydrophobicContact CB-CB 3.64Å; A135-F143 HydrophobicContact CB-CG 4.43Å
136	R	98.1	Very high	98	Very high	152 Å²	152	57.7 Å²	57.7	57%	0.574	29%	0.286	S	S	*	.	H	α-helix	trans	-60.8	-45.2	171.8	-73.9	171.7	-176.1	165	-0.5	111.8	Q132 N133 L134 W138 N139 N140	Q132-R136 VanDerWaalsContact O-CG 3.32Å; Q132-R136 WeakPolarHBondContact O-CG 3.29Å; Q132-R136 PolarHBondContact O-N 3.42Å; N133-R136 PolarHBondContact O-N 3.11Å; N133-R136 PolarHBondContact OD1-NH1 3.32Å; L134-R136 VanDerWaalsContact C-N 3.34Å; L134-R136 PolarHBondContact O-N 3.33Å; R136-W138 PolarHBondContact O-N 3.39Å; R136-N139 PolarHBondContact O-N 2.96Å; R136-N140 PolarHBondContact O-N 3.37Å; R136-N140 VanDerWaalsContact O-N 3.16Å
137	Q	97.2	Very high	98	Very high	142 Å²	142	57.7 Å²	57.7	66%	0.664	29%	0.286	S	S	*	.	H	α-helix	trans	-61.8	-32.4	176.5	-70.8	170.1	7.1	0	0	112.1	N133 L134 N139	N133-Q137 VanDerWaalsContact O-CG 3.3Å; N133-Q137 WeakPolarHBondContact O-CG 3.13Å; N133-Q137 PolarHBondContact O-N 3.05Å; L134-Q137 WeakPolarHBondContact O-CB 3.23Å; L134-Q137 PolarHBondContact O-N 2.73Å; L134-Q137 VanDerWaalsContact O-N 3.15Å; Q137-N139 PolarHBondContact O-N 3.4Å
138	W	97	Very high	98	Very high	10 Å²	10	56.7 Å²	56.7	4%	0.038	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	48	175.7	-65.3	-6.5	0	0	0	113	L80 L93 R97 L113 L134 A135 R136 N140 C141	L80-W138 HydrophobicContact CD2-CH2 4.09Å; L80-W138 HydrophobicContact CD2-CZ3 4.07Å; L93-W138 HydrophobicContact CB-CH2 3.79Å; L93-W138 HydrophobicContact CB-CZ2 4.43Å; R97-W138 HydrophobicContact CB-CH2 4.3Å; R97-W138 HydrophobicContact CB-CZ2 4.18Å; R97-W138 VanDerWaalsContact NE-CG 3.27Å; L113-W138 HydrophobicContact CB-CZ3 4.17Å; L113-W138 HydrophobicContact CD1-CH2 4.18Å; L113-W138 HydrophobicContact CD1-CZ3 3.87Å; L113-W138 HydrophobicContact CD2-CZ3 4.32Å; L113-W138 HydrophobicContact CG-CZ3 4.34Å; L134-W138 HydrophobicContact CD1-CD2 4.36Å; L134-W138 HydrophobicContact CD1-CZ2 3.82Å; L134-W138 HydrophobicContact CD2-CH2 3.79Å; L134-W138 HydrophobicContact CD2-CZ2 3.56Å; L134-W138 HydrophobicContact CD2-CZ3 4.44Å; L134-W138 HydrophobicContact CG-CD2 4.03Å; L134-W138 HydrophobicContact CG-CE3 4.5Å; L134-W138 HydrophobicContact CG-CH2 4.19Å; L134-W138 HydrophobicContact CG-CZ2 3.69Å; L134-W138 VanDerWaalsContact O-CG 3.3Å; L134-W138 PolarHBondContact O-N 3Å; A135-W138 CarbonylContact O-C 3.55Å; A135-W138 PolarHBondContact O-N 3.08Å; R136-W138 PolarHBondContact O-N 3.39Å; W138-N140 VanDerWaalsContact C-N 3.35Å; W138-N140 PolarHBondContact O-N 2.82Å; W138-C141 HydrophobicContact CB-CB 3.79Å; W138-C141 WeakPolarHBondContact O-CB 3.32Å; W138-C141 PolarHBondContact O-N 2.93Å
139	N	93.7	Very high	98	Very high	113 Å²	113	56.8 Å²	56.8	60%	0.604	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	42.9	179.7	-64.3	-26.3	0	0	0	113.7	R136 Q137 C141	R136-N139 PolarHBondContact O-N 2.96Å; Q137-N139 PolarHBondContact O-N 3.4Å; N139-C141 VanDerWaalsContact C-N 3.34Å; N139-C141 PolarHBondContact O-N 3.17Å
140	N	93.8	Very high	97.9	Very high	133 Å²	133	53.1 Å²	53.1	71%	0.711	27%	0.266	S	S	*	.	S	Bend	trans	55.8	45.7	-174.1	-59.2	-58.4	0	0	0	113.2	A135 R136 W138	A135-N140 CarbonylContact O-C 3.54Å; A135-N140 WeakPolarHBondContact O-CA 3.4Å; A135-N140 PolarHBondContact O-N 2.92Å; R136-N140 PolarHBondContact O-N 3.37Å; R136-N140 VanDerWaalsContact O-N 3.16Å; W138-N140 VanDerWaalsContact C-N 3.35Å; W138-N140 PolarHBondContact O-N 2.82Å
141	C	97.7	Very high	97.9	Very high	24 Å²	24	55.3 Å²	55.3	16%	0.162	28%	0.275	C	S	.	.			trans	-54.2	148.9	170.5	-175.6	0	0	0	0	110.7	M111 A135 W138 N139	M111-C141 PolarHBondContact O-SG 2.97Å; M111-C141 VanDerWaalsContact O-SG 3.37Å; A135-C141 HydrophobicContact CB-CB 4.4Å; A135-C141 WeakPolarHBondContact CB-O 3.34Å; A135-C141 PolarHBondContact O-N 3.06Å; W138-C141 HydrophobicContact CB-CB 3.79Å; W138-C141 WeakPolarHBondContact O-CB 3.32Å; W138-C141 PolarHBondContact O-N 2.93Å; N139-C141 VanDerWaalsContact C-N 3.34Å; N139-C141 PolarHBondContact O-N 3.17Å
142	A	98.6	Very high	97.9	Very high	27 Å²	27	58.6 Å²	58.6	22%	0.223	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	143.2	173.2	0	0	0	0	0	110.2	I112 L113 D160	I112-A142 HydrophobicContact CB-CB 4.17Å; I112-A142 HydrophobicContact CD1-CB 4.25Å; I112-A142 HydrophobicContact CG1-CB 3.85Å; L113-A142 PolarHBondContact N-O 3.34Å; A142-D160 VanDerWaalsContact CB-OD1 3.29Å; A142-D160 WeakPolarHBondContact CB-OD1 3.23Å
143	F	98.8	Very high	97.9	Very high	35 Å²	35	57.9 Å²	57.9	15%	0.154	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	133	177.5	169.5	-105.5	0	0	0	111.1	Y82 L113 K128 Q132 A135 E145	Y82-F143 HydrophobicContact CE1-CE2 4.31Å; L113-F143 HydrophobicContact CB-CD2 4.18Å; L113-F143 HydrophobicContact CD2-CD2 3.94Å; L113-F143 HydrophobicContact CD2-CE2 4.48Å; L113-F143 HydrophobicContact CG-CD2 3.88Å; L113-F143 HydrophobicContact CG-CE2 4.44Å; L113-F143 WeakPolarHBondContact O-CA 3.49Å; L113-F143 WeakPolarHBondContact O-CD2 3.35Å; K128-F143 HydrophobicContact CG-CE1 4Å; K128-F143 HydrophobicContact CG-CZ 4.32Å; Q132-F143 HydrophobicContact CB-CD1 4.43Å; Q132-F143 HydrophobicContact CG-CD1 3.51Å; Q132-F143 HydrophobicContact CG-CE1 3.53Å; A135-F143 HydrophobicContact CB-CB 3.64Å; A135-F143 HydrophobicContact CB-CG 4.43Å; F143-E145 HydrophobicContact CE1-CG 4.2Å; F143-E145 HydrophobicContact CE2-CG 4.43Å; F143-E145 HydrophobicContact CZ-CG 3.63Å
144	L	98.8	Very high	98	Very high	49 Å²	49	54.9 Å²	54.9	26%	0.257	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	144.9	169.9	-66.6	174.7	0	0	0	109.8	I112 L113 V114 G115 N153 E156 I157	I112-L144 HydrophobicContact CD1-CB 4.39Å; I112-L144 HydrophobicContact CD1-CD1 3.76Å; I112-L144 HydrophobicContact CD1-CG 3.99Å; L113-L144 PolarHBondContact O-N 3.29Å; L113-L144 VanDerWaalsContact O-N 3.09Å; V114-L144 WeakPolarHBondContact CA-O 3.46Å; G115-L144 PolarHBondContact N-O 2.82Å; L144-N153 HydrophobicContact CD1-CB 4.37Å; L144-E156 HydrophobicContact CD1-CB 3.77Å; L144-I157 HydrophobicContact CD1-CG1 4.4Å
145	E	98.9	Very high	98	Very high	19 Å²	19	57 Å²	57	9%	0.089	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	146.8	157	-65.3	-165.6	155.3	0	0	109.2	G115 C118 R124 K128 F143 N153	G115-E145 CarbonylContact O-C 3.57Å; G115-E145 WeakPolarHBondContact O-CA 3.32Å; C118-E145 HydrophobicContact CB-CB 4.08Å; R124-E145 IonicContact CZ-OE1 2.76Å; R124-E145 IonicContact CZ-OE2 2.99Å; R124-E145 IonicContact NH1-OE1 3.7Å; R124-E145 PolarHBondContact NH1-OE1 3.2Å; R124-E145 IonicContact NH1-OE2 2.98Å; R124-E145 IonicContact NH2-OE1 3.76Å; R124-E145 PolarHBondContact NH2-OE1 3.24Å; R124-E145 IonicContact NH2-OE2 2.82Å; R124-E145 PolarHBondContact NH2-OE2 3.31Å; K128-E145 WeakPolarHBondContact CA-OE1 3.42Å; K128-E145 WeakPolarHBondContact CB-OE1 3.33Å; K128-E145 HydrophobicContact CG-CG 4.32Å; F143-E145 HydrophobicContact CE1-CG 4.2Å; F143-E145 HydrophobicContact CE2-CG 4.43Å; F143-E145 HydrophobicContact CZ-CG 3.63Å; E145-N153 WeakPolarHBondContact O-CB 3.26Å; E145-N153 PolarHBondContact O-ND2 3.23Å
146	S	98.9	Very high	98	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	162	-178.1	63.8	0	0	0	0	111.8	V114 G115 N116 K117 C118 I152	V114-S146 WeakPolarHBondContact CG1-OG 3.39Å; G115-S146 PolarHBondContact O-N 2.87Å; N116-S146 CarbonylContact C-O 3.57Å; N116-S146 VanDerWaalsContact CA-O 3.31Å; N116-S146 WeakPolarHBondContact CA-O 3.24Å; N116-S146 PolarHBondContact OD1-O 2.91Å; N116-S146 PolarHBondContact OD1-OG 3.26Å; K117-S146 PolarHBondContact N-O 2.94Å; C118-S146 PolarHBondContact N-O 3.38Å; C118-S146 PolarHBondContact SG-O 3Å; C118-S146 VanDerWaalsContact SG-O 3.35Å; S146-I152 VanDerWaalsContact CA-O 3.26Å; S146-I152 WeakPolarHBondContact CA-O 3.08Å; S146-I152 VanDerWaalsContact CB-O 3.29Å; S146-I152 WeakPolarHBondContact CB-O 3.4Å
147	S	98.8	Very high	98	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-137.5	112.5	167.5	172.7	0	0	0	0	108.5	D119 K149 S150 K151 I152	D119-S147 WeakPolarHBondContact CB-OG 3.47Å; D119-S147 VanDerWaalsContact OD1-CB 3.23Å; D119-S147 WeakPolarHBondContact OD1-CB 3.41Å; D119-S147 PolarHBondContact OD1-OG 3.05Å; S147-K149 PolarHBondContact O-N 3.46Å; S147-K149 PolarHBondContact OG-N 3.38Å; S147-S150 WeakPolarHBondContact OG-CB 3.28Å; S147-S150 PolarHBondContact OG-N 3.3Å; S147-K151 CarbonylContact O-C 3.56Å; S147-K151 WeakPolarHBondContact O-CA 3.43Å; S147-K151 PolarHBondContact O-N 3.42Å; S147-I152 PolarHBondContact N-O 3.43Å; S147-I152 PolarHBondContact O-N 2.99Å
148	A	98.7	Very high	98.1	Very high	3 Å²	3	47.1 Å²	47.1	3%	0.025	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-38.7	168.1	0	0	0	0	0	111.3	A18 L19 Q22 F28 N116	A18-A148 HydrophobicContact CB-CB 3.65Å; L19-A148 HydrophobicContact CD2-CB 3.97Å; L19-A148 HydrophobicContact CG-CB 4.2Å; Q22-A148 WeakPolarHBondContact CG-O 3.28Å; Q22-A148 PolarHBondContact NE2-O 3.15Å; F28-A148 HydrophobicContact CD2-CB 4.06Å; F28-A148 HydrophobicContact CE2-CB 4.15Å; N116-A148 PolarHBondContact OD1-N 3.09Å
149	K	98.4	Very high	98.2	Very high	109 Å²	109	49.1 Å²	49.1	47%	0.474	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-50.5	-178.6	-173.2	177.5	-176.8	179.3	0	112.1	F28 D119 S147	F28-K149 HydrophobicContact CD1-CB 4.27Å; F28-K149 HydrophobicContact CD1-CG 4.03Å; F28-K149 HydrophobicContact CD2-CB 4.35Å; F28-K149 HydrophobicContact CE1-CB 3.99Å; F28-K149 HydrophobicContact CE1-CD 4.18Å; F28-K149 HydrophobicContact CE1-CG 3.79Å; F28-K149 HydrophobicContact CE2-CB 4.1Å; F28-K149 HydrophobicContact CG-CB 4.44Å; F28-K149 HydrophobicContact CZ-CB 3.91Å; F28-K149 HydrophobicContact CZ-CG 4.2Å; D119-K149 WeakPolarHBondContact OD2-CD 3.44Å; S147-K149 PolarHBondContact O-N 3.46Å; S147-K149 PolarHBondContact OG-N 3.38Å
150	S	98.3	Very high	98.4	Very high	66 Å²	66	45.3 Å²	45.3	46%	0.462	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	6.7	-175.9	-59.1	0	0	0	0	113.9	D119 S147 I152	D119-S150 WeakPolarHBondContact CB-OG 3.2Å; S147-S150 WeakPolarHBondContact OG-CB 3.28Å; S147-S150 PolarHBondContact OG-N 3.3Å; S150-I152 PolarHBondContact O-N 3.04Å
151	K	98.2	Very high	98.7	Very high	123 Å²	123	39 Å²	39	54%	0.535	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	28.4	-178.4	-49.8	-163.9	-177.5	-162.5	0	114.5	Q22 G26 S147	Q22-K151 HydrophobicContact CG-CG 4.28Å; G26-K151 PolarHBondContact O-NZ 3.43Å; S147-K151 CarbonylContact O-C 3.56Å; S147-K151 WeakPolarHBondContact O-CA 3.43Å; S147-K151 PolarHBondContact O-N 3.42Å
152	I	98.9	Very high	98.7	Very high	70 Å²	70	38 Å²	38	36%	0.359	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-83.8	125	-179.5	-61.1	170.6	0	0	0	109	S146 S147 S150 V154	S146-I152 VanDerWaalsContact CA-O 3.26Å; S146-I152 WeakPolarHBondContact CA-O 3.08Å; S146-I152 VanDerWaalsContact CB-O 3.29Å; S146-I152 WeakPolarHBondContact CB-O 3.4Å; S147-I152 PolarHBondContact N-O 3.43Å; S147-I152 PolarHBondContact O-N 2.99Å; S150-I152 PolarHBondContact O-N 3.04Å; I152-V154 PolarHBondContact O-N 3.07Å
153	N	98.8	Very high	98.7	Very high	51 Å²	51	40.6 Å²	40.6	27%	0.273	20%	0.196	S	C	.	.	S	Bend	trans	57	17.6	174.9	-64.8	-31.7	0	0	0	115.7	L144 E145 E156 I157	L144-N153 HydrophobicContact CD1-CB 4.37Å; E145-N153 WeakPolarHBondContact O-CB 3.26Å; E145-N153 PolarHBondContact O-ND2 3.23Å; N153-E156 WeakPolarHBondContact CA-OE2 3.31Å; N153-E156 HydrophobicContact CB-CB 4.25Å; N153-I157 WeakPolarHBondContact O-CD1 3.45Å; N153-I157 VanDerWaalsContact O-CG1 3.29Å; N153-I157 WeakPolarHBondContact O-CG1 3.17Å; N153-I157 PolarHBondContact O-N 2.94Å
154	V	98.8	Very high	98.7	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.03	20%	0.196	C	C	.	.	H	α-helix	trans	-66.5	-47.1	-176.4	175.9	0	0	0	0	111.1	L19 Q22 F23 I152 E156 F158	L19-V154 HydrophobicContact CD2-CG2 4.06Å; Q22-V154 HydrophobicContact CB-CG1 4.16Å; Q22-V154 HydrophobicContact CG-CG1 4.07Å; Q22-V154 HydrophobicContact CG-CG2 4.08Å; F23-V154 HydrophobicContact CB-CG1 3.77Å; I152-V154 PolarHBondContact O-N 3.07Å; V154-E156 PolarHBondContact N-OE2 3.49Å; V154-F158 WeakPolarHBondContact O-CD2 3.43Å; V154-F158 WeakPolarHBondContact O-CE2 3.27Å
155	N	98.7	Very high	98.6	Very high	63 Å²	63	38.3 Å²	38.3	34%	0.337	19%	0.185	S	C	.	.	H	α-helix	trans	-72.1	-36.5	179.5	-68.4	-35.1	0	0	0	111.3	F23 I157 F158 Y159	F23-N155 HydrophobicContact CD2-CB 4.48Å; F23-N155 WeakPolarHBondContact CD2-OD1 3.29Å; F23-N155 HydrophobicContact CE2-CB 4.36Å; F23-N155 WeakPolarHBondContact CE2-OD1 3.26Å; N155-I157 VanDerWaalsContact C-N 3.28Å; N155-I157 PolarHBondContact O-N 3.37Å; N155-F158 PolarHBondContact O-N 3.03Å; N155-Y159 HydrophobicContact CB-CD2 4.19Å; N155-Y159 HydrophobicContact CB-CE2 3.82Å; N155-Y159 WeakPolarHBondContact O-CB 3.45Å; N155-Y159 VanDerWaalsContact O-CG 3.25Å; N155-Y159 PolarHBondContact O-N 2.77Å
156	E	98.8	Very high	98.5	Very high	85 Å²	85	38.7 Å²	38.7	40%	0.397	19%	0.187	S	C	.	.	H	α-helix	trans	-58.6	-39.7	-175.5	-69.5	69.8	-164.7	0	0	111.1	L144 N153 V154 D160	L144-E156 HydrophobicContact CD1-CB 3.77Å; N153-E156 WeakPolarHBondContact CA-OE2 3.31Å; N153-E156 HydrophobicContact CB-CB 4.25Å; V154-E156 PolarHBondContact N-OE2 3.49Å; E156-D160 WeakPolarHBondContact O-CB 3.36Å; E156-D160 PolarHBondContact O-N 3.3Å
157	I	98.9	Very high	98.3	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-55.5	-54.7	175.1	-68.1	158.6	0	0	0	111.3	L19 A79 I112 V114 L144 N153 N155 L161	L19-I157 HydrophobicContact CD1-CD1 4.31Å; L19-I157 HydrophobicContact CD2-CD1 4.17Å; A79-I157 HydrophobicContact CB-CG2 3.99Å; I112-I157 HydrophobicContact CD1-CG1 4.45Å; I112-I157 HydrophobicContact CG2-CG2 3.96Å; V114-I157 HydrophobicContact CB-CD1 4.49Å; V114-I157 HydrophobicContact CG1-CD1 3.6Å; V114-I157 HydrophobicContact CG1-CG1 4.26Å; V114-I157 HydrophobicContact CG2-CD1 4.03Å; V114-I157 HydrophobicContact CG2-CG1 3.9Å; V114-I157 HydrophobicContact CG2-CG2 4.06Å; L144-I157 HydrophobicContact CD1-CG1 4.4Å; N153-I157 WeakPolarHBondContact O-CD1 3.45Å; N153-I157 VanDerWaalsContact O-CG1 3.29Å; N153-I157 WeakPolarHBondContact O-CG1 3.17Å; N153-I157 PolarHBondContact O-N 2.94Å; N155-I157 VanDerWaalsContact C-N 3.28Å; N155-I157 PolarHBondContact O-N 3.37Å; I157-L161 PolarHBondContact O-N 3.28Å
158	F	98.9	Very high	98	Very high	3 Å²	3	50.7 Å²	50.7	1%	0.013	24%	0.235	C	C	.	.	H	α-helix	trans	-73.1	-35.8	-174.5	-59.3	-78.5	0	0	0	111.8	L6 V8 F23 L53 I55 V154 N155 L161 V162	L6-F158 HydrophobicContact CD1-CB 4.22Å; L6-F158 HydrophobicContact CD1-CD1 3.87Å; V8-F158 HydrophobicContact CG2-CE1 4.06Å; V8-F158 HydrophobicContact CG2-CZ 4.46Å; F23-F158 HydrophobicContact CB-CD2 3.84Å; F23-F158 HydrophobicContact CB-CE2 3.45Å; F23-F158 VanDerWaalsContact CB-CE2 3.45Å; F23-F158 HydrophobicContact CB-CZ 4.22Å; F23-F158 AromaticContact CD1-CD2 3.75Å; F23-F158 HydrophobicContact CD1-CD2 3.75Å; F23-F158 AromaticContact CD1-CE2 3.99Å; F23-F158 HydrophobicContact CD1-CE2 3.99Å; F23-F158 HydrophobicContact CD1-CG 4.06Å; F23-F158 HydrophobicContact CD1-CZ 4.46Å; F23-F158 HydrophobicContact CD2-CB 4.49Å; F23-F158 AromaticContact CD2-CD2 3.44Å; F23-F158 HydrophobicContact CD2-CD2 3.44Å; F23-F158 VanDerWaalsContact CD2-CD2 3.44Å; F23-F158 AromaticContact CD2-CE2 4Å; F23-F158 HydrophobicContact CD2-CE2 4Å; F23-F158 HydrophobicContact CD2-CG 4.22Å; F23-F158 HydrophobicContact CE1-CB 4.2Å; F23-F158 HydrophobicContact CE1-CD2 4.13Å; F23-F158 HydrophobicContact CE1-CG 4.06Å; F23-F158 HydrophobicContact CE2-CB 4.02Å; F23-F158 AromaticContact CE2-CD2 3.84Å; F23-F158 HydrophobicContact CE2-CD2 3.84Å; F23-F158 HydrophobicContact CE2-CG 4.22Å; F23-F158 AromaticContact CG-CD2 3.38Å; F23-F158 HydrophobicContact CG-CD2 3.38Å; F23-F158 AromaticContact CG-CE2 3.54Å; F23-F158 HydrophobicContact CG-CE2 3.54Å; F23-F158 HydrophobicContact CG-CG 4.14Å; F23-F158 HydrophobicContact CG-CZ 4.38Å; F23-F158 HydrophobicContact CZ-CB 3.83Å; F23-F158 HydrophobicContact CZ-CD2 4.15Å; F23-F158 HydrophobicContact CZ-CG 4.11Å; L53-F158 HydrophobicContact CD1-CB 4.04Å; I55-F158 HydrophobicContact CD1-CD1 3.71Å; I55-F158 HydrophobicContact CD1-CE1 3.68Å; I55-F158 HydrophobicContact CD1-CG 4.35Å; I55-F158 HydrophobicContact CD1-CZ 4.3Å; I55-F158 HydrophobicContact CG1-CD1 4.2Å; I55-F158 HydrophobicContact CG1-CE1 4.18Å; I55-F158 HydrophobicContact CG2-CE1 3.9Å; V154-F158 WeakPolarHBondContact O-CD2 3.43Å; V154-F158 WeakPolarHBondContact O-CE2 3.27Å; N155-F158 PolarHBondContact O-N 3.03Å; F158-L161 PolarHBondContact O-N 3.36Å; F158-V162 WeakPolarHBondContact O-CG2 3.48Å; F158-V162 PolarHBondContact O-N 2.96Å; F158-V162 VanDerWaalsContact O-N 3.13Å
159	Y	98.8	Very high	97.6	Very high	52 Å²	52	54.7 Å²	54.7	20%	0.204	26%	0.259	C	S	.	.	H	α-helix	trans	-70	-35.6	177.5	-64.3	-9.7	0	0	0	112.4	F23 V44 V46 N155 V162 R163	F23-Y159 AromaticContact CE2-CE1 3.9Å; F23-Y159 HydrophobicContact CE2-CE1 3.9Å; F23-Y159 HydrophobicContact CZ-CE1 4.01Å; V44-Y159 HydrophobicContact CB-CE1 3.93Å; V44-Y159 HydrophobicContact CG1-CE1 4.13Å; V44-Y159 HydrophobicContact CG2-CE1 3.97Å; V46-Y159 HydrophobicContact CG2-CD1 3.5Å; V46-Y159 HydrophobicContact CG2-CE1 3.97Å; V46-Y159 HydrophobicContact CG2-CG 3.92Å; N155-Y159 HydrophobicContact CB-CD2 4.19Å; N155-Y159 HydrophobicContact CB-CE2 3.82Å; N155-Y159 WeakPolarHBondContact O-CB 3.45Å; N155-Y159 VanDerWaalsContact O-CG 3.25Å; N155-Y159 PolarHBondContact O-N 2.77Å; Y159-V162 PolarHBondContact O-N 3.42Å; Y159-R163 WeakPolarHBondContact O-CG 3.48Å; Y159-R163 PolarHBondContact O-N 3.04Å
160	D	98.8	Very high	96.9	Very high	33 Å²	33	53.5 Å²	53.5	18%	0.176	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-46.5	173.2	-176.1	-104.4	0	0	0	111.3	I112 A142 E156 V162 R163 Q164	I112-D160 HydrophobicContact CD1-CB 4.26Å; A142-D160 VanDerWaalsContact CB-OD1 3.29Å; A142-D160 WeakPolarHBondContact CB-OD1 3.23Å; E156-D160 WeakPolarHBondContact O-CB 3.36Å; E156-D160 PolarHBondContact O-N 3.3Å; D160-V162 VanDerWaalsContact C-N 3.33Å; D160-V162 PolarHBondContact O-N 3Å; D160-R163 WeakPolarHBondContact O-CA 3.33Å; D160-R163 WeakPolarHBondContact O-CB 3.33Å; D160-R163 PolarHBondContact O-N 2.96Å; D160-Q164 WeakPolarHBondContact O-CG 3.39Å; D160-Q164 PolarHBondContact O-N 2.81Å; D160-Q164 PolarHBondContact OD1-NE2 3.35Å
161	L	98.8	Very high	95.8	Very high	1 Å²	1	52 Å²	52	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-58.3	-42.4	175.6	-72.1	175.9	0	0	0	112.7	L6 A79 I112 I157 F158 R163 Q164 I165	L6-L161 HydrophobicContact CD1-CB 4.39Å; L6-L161 HydrophobicContact CD1-CD1 4.41Å; L6-L161 HydrophobicContact CD2-CB 3.86Å; L6-L161 HydrophobicContact CD2-CD1 4.18Å; A79-L161 HydrophobicContact CB-CD1 4.19Å; I112-L161 HydrophobicContact CB-CD2 4.34Å; I112-L161 HydrophobicContact CG2-CD1 4.07Å; I112-L161 HydrophobicContact CG2-CD2 3.88Å; I112-L161 HydrophobicContact CG2-CG 3.85Å; I157-L161 PolarHBondContact O-N 3.28Å; F158-L161 PolarHBondContact O-N 3.36Å; L161-R163 VanDerWaalsContact C-N 3.32Å; L161-R163 PolarHBondContact O-N 2.86Å; L161-Q164 PolarHBondContact O-N 2.99Å; L161-I165 WeakPolarHBondContact O-CD1 3.38Å; L161-I165 VanDerWaalsContact O-CG1 3.28Å; L161-I165 WeakPolarHBondContact O-CG1 3.35Å; L161-I165 PolarHBondContact O-N 2.74Å
162	V	98.6	Very high	94.5	Very high	1 Å²	1	52 Å²	52	1%	0.006	26%	0.263	C	S	.	.	H	α-helix	trans	-58.3	-45	174.1	170.7	0	0	0	0	111.1	Y4 V46 L53 F158 Y159 D160 I165 N166	Y4-V162 HydrophobicContact CD1-CG1 4.39Å; Y4-V162 HydrophobicContact CD1-CG2 4.38Å; Y4-V162 HydrophobicContact CE1-CG1 3.9Å; Y4-V162 HydrophobicContact CE2-CG1 4.21Å; Y4-V162 HydrophobicContact CG-CG2 4.27Å; V46-V162 HydrophobicContact CB-CG1 3.93Å; V46-V162 HydrophobicContact CG1-CB 4.36Å; V46-V162 HydrophobicContact CG1-CG1 3.92Å; V46-V162 HydrophobicContact CG2-CB 4.29Å; V46-V162 HydrophobicContact CG2-CG1 4.04Å; V46-V162 HydrophobicContact CG2-CG2 4.45Å; L53-V162 HydrophobicContact CD1-CG2 4.24Å; L53-V162 HydrophobicContact CD2-CG2 3.37Å; L53-V162 HydrophobicContact CG-CG2 4.47Å; F158-V162 WeakPolarHBondContact O-CG2 3.48Å; F158-V162 PolarHBondContact O-N 2.96Å; F158-V162 VanDerWaalsContact O-N 3.13Å; Y159-V162 PolarHBondContact O-N 3.42Å; D160-V162 VanDerWaalsContact C-N 3.33Å; D160-V162 PolarHBondContact O-N 3Å; V162-I165 PolarHBondContact O-N 2.95Å; V162-N166 WeakPolarHBondContact O-CB 3.43Å; V162-N166 VanDerWaalsContact O-CG 3.3Å; V162-N166 PolarHBondContact O-N 3.46Å; V162-N166 PolarHBondContact O-ND2 3.26Å
163	R	98.2	Very high	93.1	Very high	82 Å²	82	52.8 Å²	52.8	31%	0.309	29%	0.288	S	S	.	.	H	α-helix	trans	-64.8	-41.3	177.8	-70.9	177.4	-176.1	122.1	-0.4	112	V46 D47 Y159 D160 L161 N166 R167	V46-R163 HydrophobicContact CG1-CG 4.01Å; D47-R163 IonicContact OD1-CZ 2.87Å; D47-R163 IonicContact OD1-NE 3.2Å; D47-R163 PolarHBondContact OD1-NE 3.05Å; D47-R163 IonicContact OD1-NH2 3.3Å; D47-R163 PolarHBondContact OD1-NH2 2.92Å; D47-R163 WeakPolarHBondContact OD2-CG 3.48Å; D47-R163 IonicContact OD2-NE 2.79Å; D47-R163 PolarHBondContact OD2-NE 2.93Å; Y159-R163 WeakPolarHBondContact O-CG 3.48Å; Y159-R163 PolarHBondContact O-N 3.04Å; D160-R163 WeakPolarHBondContact O-CA 3.33Å; D160-R163 WeakPolarHBondContact O-CB 3.33Å; D160-R163 PolarHBondContact O-N 2.96Å; L161-R163 VanDerWaalsContact C-N 3.32Å; L161-R163 PolarHBondContact O-N 2.86Å; R163-N166 PolarHBondContact O-N 3.02Å; R163-R167 VanDerWaalsContact O-CG 3.32Å; R163-R167 WeakPolarHBondContact O-CG 3.19Å; R163-R167 PolarHBondContact O-N 3.36Å
164	Q	98.2	Very high	91.2	Very high	31 Å²	31	56 Å²	56	15%	0.145	30%	0.3	C	S	.	.	H	α-helix	trans	-61.4	-47.4	175.5	-68.1	-169.8	40.3	0	0	111.7	P110 M111 D160 L161 N166 R167 K168	P110-Q164 VanDerWaalsContact CA-OE1 3.27Å; P110-Q164 HydrophobicContact CB-CB 3.83Å; P110-Q164 HydrophobicContact CG-CB 4.47Å; M111-Q164 PolarHBondContact O-NE2 2.99Å; M111-Q164 PolarHBondContact O-OE1 2.83Å; D160-Q164 WeakPolarHBondContact O-CG 3.39Å; D160-Q164 PolarHBondContact O-N 2.81Å; D160-Q164 PolarHBondContact OD1-NE2 3.35Å; L161-Q164 PolarHBondContact O-N 2.99Å; Q164-N166 VanDerWaalsContact C-N 3.3Å; Q164-N166 PolarHBondContact O-N 2.87Å; Q164-R167 PolarHBondContact O-N 3.48Å; Q164-K168 PolarHBondContact O-N 2.88Å
165	I	97.9	Very high	89.2	Confident	5 Å²	5	60.2 Å²	60.2	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-59.7	-42.3	176.2	-66.1	162.2	0	0	0	110.9	Y4 L6 Q76 P110 L161 V162 R167 K168 T169	Y4-I165 HydrophobicContact CD1-CB 4.04Å; Y4-I165 HydrophobicContact CD1-CD1 3.85Å; Y4-I165 HydrophobicContact CD1-CG2 3.76Å; Y4-I165 HydrophobicContact CE1-CB 4.15Å; Y4-I165 HydrophobicContact CE1-CG2 3.84Å; L6-I165 HydrophobicContact CD2-CD1 3.7Å; Q76-I165 HydrophobicContact CB-CD1 3.72Å; Q76-I165 HydrophobicContact CB-CG1 4.2Å; Q76-I165 WeakPolarHBondContact O-CG1 3.48Å; P110-I165 HydrophobicContact CB-CG1 3.83Å; P110-I165 HydrophobicContact CG-CG1 3.82Å; L161-I165 WeakPolarHBondContact O-CD1 3.38Å; L161-I165 VanDerWaalsContact O-CG1 3.28Å; L161-I165 WeakPolarHBondContact O-CG1 3.35Å; L161-I165 PolarHBondContact O-N 2.74Å; V162-I165 PolarHBondContact O-N 2.95Å; I165-R167 VanDerWaalsContact C-N 3.33Å; I165-R167 PolarHBondContact O-N 2.9Å; I165-K168 PolarHBondContact O-N 2.7Å; I165-T169 PolarHBondContact O-N 3.29Å
166	N	96.5	Very high	87.3	Confident	27 Å²	27	68 Å²	68	14%	0.144	36%	0.36	C	S	.	.	H	α-helix	trans	-66.2	-30.6	178.2	-78.2	-30	0	0	0	114	R2 Y4 V162 R163 Q164 K168 T169 P170	R2-N166 PolarHBondContact NH1-OD1 3.42Å; Y4-N166 VanDerWaalsContact OH-CG 3.28Å; Y4-N166 PolarHBondContact OH-ND2 3.34Å; Y4-N166 PolarHBondContact OH-OD1 3.23Å; V162-N166 WeakPolarHBondContact O-CB 3.43Å; V162-N166 VanDerWaalsContact O-CG 3.3Å; V162-N166 PolarHBondContact O-N 3.46Å; V162-N166 PolarHBondContact O-ND2 3.26Å; R163-N166 PolarHBondContact O-N 3.02Å; Q164-N166 VanDerWaalsContact C-N 3.3Å; Q164-N166 PolarHBondContact O-N 2.87Å; N166-K168 VanDerWaalsContact C-N 3.32Å; N166-T169 CarbonylContact O-C 3.59Å; N166-P170 VanDerWaalsContact O-CA 3.28Å; N166-P170 WeakPolarHBondContact O-CA 3.46Å
167	R	95.1	Very high	85.2	Confident	170 Å²	170	73.8 Å²	73.8	64%	0.642	38%	0.383	S	S	*	.	H	α-helix	trans	-66.2	-36.2	174.6	-72.3	167.9	-172.5	168.4	4.2	111.6	R163 Q164 I165	R163-R167 VanDerWaalsContact O-CG 3.32Å; R163-R167 WeakPolarHBondContact O-CG 3.19Å; R163-R167 PolarHBondContact O-N 3.36Å; Q164-R167 PolarHBondContact O-N 3.48Å; I165-R167 VanDerWaalsContact C-N 3.33Å; I165-R167 PolarHBondContact O-N 2.9Å
168	K	91.9	Very high	83.1	Confident	83 Å²	83	83.1 Å²	83.1	36%	0.361	42%	0.424	S	S	.	.	H	α-helix	trans	-84.4	-40.4	-178.8	-62.7	179.3	75.8	87.9	0	113.3	D108 P110 Q164 I165 N166	D108-K168 VanDerWaalsContact C-NZ 3.27Å; D108-K168 WeakPolarHBondContact O-CE 3.44Å; D108-K168 PolarHBondContact O-NZ 2.74Å; D108-K168 IonicContact OD1-NZ 2.73Å; D108-K168 PolarHBondContact OD1-NZ 2.54Å; D108-K168 IonicContact OD2-NZ 2.67Å; D108-K168 PolarHBondContact OD2-NZ 2.89Å; P110-K168 HydrophobicContact CG-CD 3.57Å; Q164-K168 PolarHBondContact O-N 2.88Å; I165-K168 PolarHBondContact O-N 2.7Å; N166-K168 VanDerWaalsContact C-N 3.32Å
169	T	89.4	Confident	81	Confident	86 Å²	86	88.2 Å²	88.2	53%	0.528	46%	0.46	S	S	.	.	S	Bend	trans	-125.5	83.9	178.6	-48.4	0	0	0	0	107.6	R2 I165 N166	R2-T169 VanDerWaalsContact CZ-O 3.26Å; R2-T169 PolarHBondContact NH1-O 2.86Å; R2-T169 PolarHBondContact NH2-O 3.4Å; I165-T169 PolarHBondContact O-N 3.29Å; N166-T169 CarbonylContact O-C 3.59Å
170	P	83.9	Confident	78.6	Confident	85 Å²	85	90.3 Å²	90.3	55%	0.552	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-56.5	144.5	-179.4	-26	35.5	0	0	0	112.2	N166	N166-P170 VanDerWaalsContact O-CA 3.28Å; N166-P170 WeakPolarHBondContact O-CA 3.46Å
171	V	75	Confident	75.9	Confident	33 Å²	33	93.9 Å²	93.9	20%	0.2	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-64.4	129	173.8	-174.6	0	0	0	0	108.3	R2 G173 K174	R2-V171 VanDerWaalsContact NH1-CG2 3.27Å; V171-G173 PolarHBondContact O-N 2.94Å; V171-K174 PolarHBondContact O-N 3.31Å
172	P	72.1	Confident	73.8	Confident	124 Å²	124	101.5 Å²	101.5	81%	0.805	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	134.5	174.8	-26	33.7	0	0	0	111.5
173	G	69.3	Low	71.4	Confident	86 Å²	86	109 Å²	109	89%	0.887	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	98.4	-14.8	176.6	0	0	0	0	0	116.6	V171 A175	V171-G173 PolarHBondContact O-N 2.94Å; G173-A175 PolarHBondContact O-N 3.05Å
174	K	59.8	Low	69.1	Low	120 Å²	120	116 Å²	116	52%	0.522	63%	0.626	S	S	.	*			trans	-95.3	87.4	167.2	-79.4	-172	177.3	177	0	109.8	V171 R176	V171-K174 PolarHBondContact O-N 3.31Å; K174-R176 PolarHBondContact O-N 3.08Å
175	A	56.4	Low	67.6	Low	93 Å²	93	120.3 Å²	120.3	77%	0.769	65%	0.65	S	S	*	*			trans	-58.6	127.2	159.3	0	0	0	0	0	107.7	G173 K177	G173-A175 PolarHBondContact O-N 3.05Å; A175-K177 PolarHBondContact O-N 3.34Å
176	R	57.5	Low	66	Low	227 Å²	227	126.4 Å²	126.4	86%	0.857	68%	0.683	S	S	*	*			trans	-53.2	114.3	168.7	-92.3	-179.6	157.1	-175.9	-5.9	106.6	K174 K178	K174-R176 PolarHBondContact O-N 3.08Å; R176-K178 VanDerWaalsContact C-N 3.25Å; R176-K178 PolarHBondContact O-N 2.99Å
177	K	55.7	Low	64.3	Low	205 Å²	205	131.9 Å²	131.9	89%	0.891	71%	0.713	S	S	*	*			trans	-57.6	102	159.6	-80.5	-173.6	176.9	-179	0	104.6	A175 S179	A175-K177 PolarHBondContact O-N 3.34Å; K177-S179 VanDerWaalsContact C-N 3.33Å; K177-S179 PolarHBondContact O-N 2.76Å
178	K	54	Low	62.5	Low	199 Å²	199	129.6 Å²	129.6	87%	0.865	72%	0.717	S	S	*	*			trans	-57.7	107.6	165.5	-78.1	-174.6	177.3	-179.5	0	104.2	R176 S180	R176-K178 VanDerWaalsContact C-N 3.25Å; R176-K178 PolarHBondContact O-N 2.99Å; K178-S180 VanDerWaalsContact C-N 3.33Å; K178-S180 PolarHBondContact O-N 3.33Å
179	S	54.6	Low	60.7	Low	110 Å²	110	132.6 Å²	132.6	77%	0.769	74%	0.739	S	S	*	*			trans	-58.8	105.3	166.2	49.5	0	0	0	0	105.5	K177 C181	K177-S179 VanDerWaalsContact C-N 3.33Å; K177-S179 PolarHBondContact O-N 2.76Å; S179-C181 VanDerWaalsContact C-N 3.34Å; S179-C181 PolarHBondContact O-N 2.82Å
180	S	48.2	Very low	58.8	Low	95 Å²	95	135.7 Å²	135.7	66%	0.664	75%	0.753	S	S	*	*			trans	-63.4	104.4	169.6	64.2	0	0	0	0	105.8	K178 Q182	K178-S180 VanDerWaalsContact C-N 3.33Å; K178-S180 PolarHBondContact O-N 3.33Å; S180-Q182 VanDerWaalsContact C-N 3.26Å; S180-Q182 PolarHBondContact O-N 3.39Å
181	C	43.7	Very low	57	Low	109 Å²	109	139.3 Å²	139.3	74%	0.736	77%	0.768	S	S	*	*			trans	-67.7	95.9	166.5	-161.1	0	0	0	0	105.4	S179 L183	S179-C181 VanDerWaalsContact C-N 3.34Å; S179-C181 PolarHBondContact O-N 2.82Å; C181-L183 VanDerWaalsContact C-N 3.33Å; C181-L183 PolarHBondContact O-N 3.04Å
182	Q	53.8	Low	55.6	Low	160 Å²	160	147.5 Å²	147.5	75%	0.748	81%	0.812	S	S	*	*			trans	-76.2	94.3	166.9	-74.5	-175.4	-20	0	0	105.9	S180 L184	S180-Q182 VanDerWaalsContact C-N 3.26Å; S180-Q182 PolarHBondContact O-N 3.39Å; Q182-L184 PolarHBondContact O-N 3.21Å
183	L	48.7	Very low	54.2	Low	159 Å²	159	149.4 Å²	149.4	83%	0.832	81%	0.812	S	S	*	*			trans	-75.5	103.7	158.8	-77	159.3	0	0	0	105.9	C181	C181-L183 VanDerWaalsContact C-N 3.33Å; C181-L183 PolarHBondContact O-N 3.04Å
184	L	48.9	Very low	52.8	Low	230 Å²	230	155.2 Å²	155.2	100%	1.204	81%	0.805	S	S	*	*			trans	-91.6	0	154.1	-77.8	169.7	0	0	0	107.9	Q182	Q182-L184 PolarHBondContact O-N 3.21Å

Retrieved 184 of 184 residues in 67.5 ms (Link to these results)

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