A0A087XHJ3_POEFO Loading...

Cell division control protein 42 homolog

Plasma membrane-associated small GTPase which cycles between an active GTP-bound and an inactive GDP-bound state.

AlphaFold DB (Q4S5T1), UniProt , Accession A0A087XHJ3, Species POEFO (Poecilia formosa, Amazon molly), Gene CDC42, Length 191 aa.

Structure Viewer

Loading PAE data...

(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	61.1	Low	93.3	Very high	145 Å²	145	37.5 Å²	37.5	71%	0.714	19%	0.191	S	C	*	.				0	118.8	0	-162.9	171.3	-178.9	0	0	106.7	T43 T52	M1-T43 HydrophobicContact CE-CG2 3.73Å; M1-T52 WeakPolarHBondContact CE-OG1 3.06Å; M1-T52 PolarHBondContact SD-OG1 3.35Å; M1-T52 VanDerWaalsContact SD-OG1 3.35Å
2	Q	86.6	Confident	93.4	Very high	118 Å²	118	37 Å²	37	55%	0.551	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	140.2	178.7	-66.8	-178.2	32	0	0	108.5	Y51 T52	Q2-Y51 HydrophobicContact CB-CD1 3.6Å; Q2-Y51 HydrophobicContact CB-CE1 3.45Å; Q2-Y51 VanDerWaalsContact CB-CE1 3.45Å; Q2-Y51 HydrophobicContact CB-CG 4.44Å; Q2-Y51 HydrophobicContact CG-CE1 4.13Å; Q2-Y51 WeakPolarHBondContact O-CA 3.35Å; Q2-Y51 PolarHBondContact OE1-OH 3.31Å; Q2-T52 PolarHBondContact O-N 3.06Å
3	T	93.8	Very high	93.5	Very high	89 Å²	89	39.7 Å²	39.7	55%	0.546	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.3	-179.9	-58.4	0	0	0	0	108.5	T52	T3-T52 CarbonylContact C-O 3.59Å; T3-T52 VanDerWaalsContact CA-O 3.29Å; T3-T52 WeakPolarHBondContact CA-O 3.37Å; T3-T52 HydrophobicContact CG2-CG2 4.34Å
4	I	96.8	Very high	93.8	Very high	6 Å²	6	37 Å²	37	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.4	171	-61.2	170.8	0	0	0	107.1	I46 Y51 T52 L53 G54 D76 I173 A176 L177	I4-I46 HydrophobicContact CD1-CD1 4.12Å; I4-Y51 HydrophobicContact CD1-CD1 3.98Å; I4-Y51 HydrophobicContact CG1-CD1 4.2Å; I4-T52 PolarHBondContact N-O 2.89Å; I4-L53 HydrophobicContact CB-CD1 4.05Å; I4-L53 HydrophobicContact CG2-CD1 3.87Å; I4-G54 PolarHBondContact O-N 3.35Å; I4-D76 WeakPolarHBondContact CA-OD2 3.29Å; I4-D76 HydrophobicContact CG2-CB 4.2Å; I4-I173 HydrophobicContact CD1-CB 4.48Å; I4-I173 HydrophobicContact CD1-CG1 4.33Å; I4-I173 HydrophobicContact CD1-CG2 3.99Å; I4-A176 HydrophobicContact CG2-CB 3.64Å; I4-L177 HydrophobicContact CD1-CD1 4.38Å; I4-L177 HydrophobicContact CD1-CD2 4.04Å; I4-L177 HydrophobicContact CD1-CG 4.07Å
5	K	97.6	Very high	93.9	Very high	30 Å²	30	35.5 Å²	35.5	13%	0.13	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	113.2	174.8	177.3	168.4	175	-177.1	0	110.3	V7 F56 S71 P73 D76 V77	K5-V7 HydrophobicContact CG-CG2 4.36Å; K5-F56 HydrophobicContact CB-CE2 4.43Å; K5-F56 HydrophobicContact CD-CD2 4.31Å; K5-F56 HydrophobicContact CD-CE1 4.34Å; K5-F56 HydrophobicContact CD-CE2 3.87Å; K5-F56 HydrophobicContact CD-CZ 3.9Å; K5-F56 HydrophobicContact CG-CD2 3.8Å; K5-F56 HydrophobicContact CG-CE2 3.6Å; K5-F56 HydrophobicContact CG-CZ 4.17Å; K5-S71 WeakPolarHBondContact CE-O 3.42Å; K5-S71 PolarHBondContact NZ-O 2.88Å; K5-P73 PolarHBondContact NZ-O 2.75Å; K5-D76 PolarHBondContact N-OD2 2.86Å; K5-D76 PolarHBondContact O-N 3.18Å; K5-V77 PolarHBondContact O-N 3.34Å
6	C	98.2	Very high	94.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.1	175.4	178.9	0	0	0	0	110.2	L53 G54 L55 F56 V77	C6-L53 HydrophobicContact CB-CD1 3.96Å; C6-G54 PolarHBondContact N-O 3.47Å; C6-L55 HydrophobicContact CB-CD2 4.05Å; C6-L55 WeakPolarHBondContact O-CA 3.49Å; C6-F56 PolarHBondContact O-N 3.42Å; C6-V77 WeakPolarHBondContact CA-O 3.5Å; C6-V77 HydrophobicContact CB-CG1 3.92Å
7	V	98.6	Very high	94.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	132.8	177.3	179.3	0	0	0	0	110.3	K5 V9 F56 T58 Y72 T75 V77 F78 L79	K5-V7 HydrophobicContact CG-CG2 4.36Å; V7-V9 HydrophobicContact CG1-CG1 4.18Å; V7-F56 HydrophobicContact CB-CB 4.32Å; V7-F56 HydrophobicContact CG1-CB 4.41Å; V7-F56 HydrophobicContact CG2-CB 3.82Å; V7-F56 HydrophobicContact CG2-CG 4.2Å; V7-T58 HydrophobicContact CG1-CG2 3.91Å; V7-Y72 HydrophobicContact CG1-CD1 4.05Å; V7-Y72 HydrophobicContact CG1-CE1 4Å; V7-T75 HydrophobicContact CB-CG2 4.02Å; V7-T75 HydrophobicContact CG2-CG2 3.75Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.44Å; V7-V77 PolarHBondContact N-O 2.89Å; V7-V77 VanDerWaalsContact N-O 3.09Å; V7-F78 HydrophobicContact CB-CD1 3.73Å; V7-F78 HydrophobicContact CB-CE1 3.7Å; V7-F78 HydrophobicContact CG1-CD1 4.01Å; V7-F78 HydrophobicContact CG1-CE1 3.82Å; V7-F78 HydrophobicContact CG2-CE1 4.35Å; V7-F78 CarbonylContact O-C 3.56Å; V7-F78 WeakPolarHBondContact O-CA 3.35Å; V7-L79 PolarHBondContact O-N 3.34Å
8	V	98.4	Very high	94.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.6	-179.1	-166.3	0	0	0	0	110.1	K16 L20 F56 T58 L79 C81	V8-K16 HydrophobicContact CG1-CB 3.85Å; V8-K16 HydrophobicContact CG1-CD 3.99Å; V8-K16 HydrophobicContact CG1-CG 3.91Å; V8-L20 HydrophobicContact CB-CD1 4.46Å; V8-L20 HydrophobicContact CG2-CD1 3.95Å; V8-L20 HydrophobicContact CG2-CD2 3.77Å; V8-L20 HydrophobicContact CG2-CG 4.15Å; V8-F56 PolarHBondContact N-O 3.26Å; V8-T58 PolarHBondContact O-OG1 2.82Å; V8-L79 HydrophobicContact CB-CB 4.49Å; V8-L79 HydrophobicContact CG1-CB 4.12Å; V8-L79 HydrophobicContact CG2-CB 4.27Å; V8-L79 HydrophobicContact CG2-CD1 4.09Å; V8-C81 VanDerWaalsContact CG1-SG 3.54Å
9	V	98.6	Very high	94.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	164.9	179.2	-58.8	0	0	0	0	110.7	V7 K16 Y72 F78 L79 V80 C81 W97 I101	V7-V9 HydrophobicContact CG1-CG1 4.18Å; V9-K16 VanDerWaalsContact C-CD 3.45Å; V9-Y72 HydrophobicContact CG1-CE1 3.88Å; V9-Y72 WeakPolarHBondContact CG1-OH 3.24Å; V9-F78 HydrophobicContact CG1-CD1 4.38Å; V9-L79 PolarHBondContact N-O 2.95Å; V9-V80 HydrophobicContact CG2-CB 4.4Å; V9-V80 HydrophobicContact CG2-CG1 4.46Å; V9-V80 HydrophobicContact CG2-CG2 3.94Å; V9-C81 PolarHBondContact O-N 3.17Å; V9-W97 HydrophobicContact CB-CE3 3.93Å; V9-W97 HydrophobicContact CB-CZ3 4.26Å; V9-W97 HydrophobicContact CG2-CE3 4.32Å; V9-I101 HydrophobicContact CG1-CG2 4.43Å; V9-I101 HydrophobicContact CG2-CG2 4.02Å
10	G	98.5	Very high	94.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.9	169	-175.6	0	0	0	0	0	111.8	K16 G60 C81 W97	G10-K16 WeakPolarHBondContact O-CE 3.45Å; G10-K16 PolarHBondContact O-NZ 3.06Å; G10-G60 WeakPolarHBondContact O-CA 3.02Å; G10-C81 WeakPolarHBondContact CA-O 3.38Å; G10-W97 VanDerWaalsContact CA-CE2 3.42Å; G10-W97 WeakPolarHBondContact O-CH2 3.01Å; G10-W97 VanDerWaalsContact O-CZ2 3.25Å; G10-W97 WeakPolarHBondContact O-CZ2 3.35Å
11	D	98.1	Very high	94.3	Very high	24 Å²	24	29.6 Å²	29.6	13%	0.128	18%	0.176	C	C	.	.			trans	-55.9	162	-176.3	-80.7	17.6	0	0	0	113.6	V14 K16 S89 N92 W97	D11-V14 HydrophobicContact CB-CG1 3.63Å; D11-V14 VanDerWaalsContact O-CG2 3.29Å; D11-V14 WeakPolarHBondContact O-CG2 3.48Å; D11-K16 PolarHBondContact O-NZ 2.88Å; D11-S89 VanDerWaalsContact OD2-CA 3.31Å; D11-S89 WeakPolarHBondContact OD2-CA 3.23Å; D11-N92 WeakPolarHBondContact OD1-CB 3.31Å; D11-N92 PolarHBondContact OD1-ND2 2.92Å; D11-N92 PolarHBondContact OD2-ND2 3.39Å; D11-W97 PolarHBondContact OD1-NE1 2.69Å
12	G	94.6	Very high	95.9	Very high	32 Å²	32	22.7 Å²	22.7	33%	0.33	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	147.7	165.9	0	0	0	0	0	111.3	V14	G12-V14 PolarHBondContact O-N 2.91Å
13	A	94.4	Very high	96.3	Very high	72 Å²	72	18.9 Å²	18.9	60%	0.595	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	7.7	175.3	0	0	0	0	0	117.6	G15 Q116	A13-G15 PolarHBondContact O-N 2.89Å; A13-Q116 PolarHBondContact O-NE2 3.2Å
14	V	97.6	Very high	96.2	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.012	11%	0.108	C	C	.	.	S	Bend	trans	-75.7	2.4	173.9	-53.6	0	0	0	0	113.7	D11 G12 K16 C81 T115 Q116	D11-V14 HydrophobicContact CB-CG1 3.63Å; D11-V14 VanDerWaalsContact O-CG2 3.29Å; D11-V14 WeakPolarHBondContact O-CG2 3.48Å; G12-V14 PolarHBondContact O-N 2.91Å; V14-K16 HydrophobicContact CG2-CD 4.31Å; V14-K16 HydrophobicContact CG2-CG 3.7Å; V14-C81 HydrophobicContact CG2-CB 3.98Å; V14-T115 VanDerWaalsContact O-CB 3.32Å; V14-T115 WeakPolarHBondContact O-CB 3.44Å; V14-T115 PolarHBondContact O-OG1 3.16Å; V14-Q116 VanDerWaalsContact C-NE2 3.34Å; V14-Q116 PolarHBondContact O-NE2 3.41Å
15	G	96.1	Very high	95.9	Very high	15 Å²	15	19.5 Å²	19.5	16%	0.155	13%	0.127	C	C	.	.	S	Bend	trans	86	22.1	174.3	0	0	0	0	0	116.2	A13 C18 L19	A13-G15 PolarHBondContact O-N 2.89Å; G15-C18 PolarHBondContact O-N 3.03Å; G15-L19 WeakPolarHBondContact O-CB 3.48Å; G15-L19 PolarHBondContact O-N 2.82Å
16	K	97.3	Very high	95.4	Very high	10 Å²	10	23.5 Å²	23.5	4%	0.043	15%	0.15	C	C	.	.	H	α-helix	trans	-54.9	-51.3	173.8	-56.5	-171.8	-58.2	-77.2	0	112.3	V8 V9 G10 D11 V14 C18 L19 L20 T58 C81	V8-K16 HydrophobicContact CG1-CB 3.85Å; V8-K16 HydrophobicContact CG1-CD 3.99Å; V8-K16 HydrophobicContact CG1-CG 3.91Å; V9-K16 VanDerWaalsContact C-CD 3.45Å; G10-K16 WeakPolarHBondContact O-CE 3.45Å; G10-K16 PolarHBondContact O-NZ 3.06Å; D11-K16 PolarHBondContact O-NZ 2.88Å; V14-K16 HydrophobicContact CG2-CD 4.31Å; V14-K16 HydrophobicContact CG2-CG 3.7Å; K16-C18 PolarHBondContact O-N 2.79Å; K16-L19 VanDerWaalsContact O-CB 3.3Å; K16-L19 WeakPolarHBondContact O-CB 3.39Å; K16-L19 PolarHBondContact O-N 2.83Å; K16-L20 WeakPolarHBondContact O-CG 3.35Å; K16-L20 PolarHBondContact O-N 3.32Å; K16-L20 VanDerWaalsContact O-N 3.1Å; K16-T58 WeakPolarHBondContact CE-O 2.86Å; K16-C81 HydrophobicContact CG-CB 4Å
17	T	95.3	Very high	94.9	Very high	22 Å²	22	30.8 Å²	30.8	14%	0.135	18%	0.181	C	C	.	.	H	α-helix	trans	-62.8	-44	178.3	-43	0	0	0	0	111.7	L19 L20 I21 T35 D57	T17-L19 VanDerWaalsContact C-N 3.33Å; T17-L19 PolarHBondContact O-N 2.84Å; T17-L20 PolarHBondContact O-N 2.93Å; T17-I21 HydrophobicContact CG2-CD1 3.78Å; T17-I21 HydrophobicContact CG2-CG1 4.41Å; T17-I21 WeakPolarHBondContact O-CB 3.49Å; T17-I21 WeakPolarHBondContact O-CG1 3.37Å; T17-I21 PolarHBondContact O-N 2.84Å; T17-T35 WeakPolarHBondContact CG2-OG1 3.08Å; T17-T35 PolarHBondContact OG1-OG1 2.84Å; T17-D57 WeakPolarHBondContact CA-OD2 3.35Å; T17-D57 VanDerWaalsContact CB-OD2 3.27Å; T17-D57 WeakPolarHBondContact CB-OD2 3.19Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.46Å; T17-D57 PolarHBondContact OG1-OD2 3.01Å
18	C	95.3	Very high	94.3	Very high	19 Å²	19	35.1 Å²	35.1	13%	0.128	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-38.3	177.3	-57	0	0	0	0	112.2	G15 K16 S22 F28 P29 A159	G15-C18 PolarHBondContact O-N 3.03Å; K16-C18 PolarHBondContact O-N 2.79Å; C18-S22 WeakPolarHBondContact O-CB 3.48Å; C18-S22 PolarHBondContact O-N 2.73Å; C18-F28 HydrophobicContact CB-CD2 4.43Å; C18-F28 HydrophobicContact CB-CE2 3.74Å; C18-F28 HydrophobicContact CB-CZ 4.28Å; C18-P29 HydrophobicContact CB-CG 4.28Å; C18-A159 HydrophobicContact CB-CB 3.97Å
19	L	96.1	Very high	93.6	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-57.3	-51.6	173.9	177.9	83.3	0	0	0	110.3	G15 K16 T17 Y23 L79 C157 L165 V168 F169	G15-L19 WeakPolarHBondContact O-CB 3.48Å; G15-L19 PolarHBondContact O-N 2.82Å; K16-L19 VanDerWaalsContact O-CB 3.3Å; K16-L19 WeakPolarHBondContact O-CB 3.39Å; K16-L19 PolarHBondContact O-N 2.83Å; T17-L19 VanDerWaalsContact C-N 3.33Å; T17-L19 PolarHBondContact O-N 2.84Å; L19-Y23 WeakPolarHBondContact O-CB 3.5Å; L19-Y23 PolarHBondContact O-N 2.73Å; L19-L79 HydrophobicContact CD2-CD1 4.17Å; L19-C157 HydrophobicContact CD1-CB 4.4Å; L19-C157 WeakPolarHBondContact CD1-SG 3.33Å; L19-L165 HydrophobicContact CD1-CD1 3.32Å; L19-L165 HydrophobicContact CG-CD1 4.07Å; L19-V168 HydrophobicContact CD2-CG1 4.48Å; L19-F169 HydrophobicContact CD1-CE2 4.42Å; L19-F169 HydrophobicContact CD2-CZ 4.14Å; L19-F169 HydrophobicContact CG-CE2 4.2Å; L19-F169 HydrophobicContact CG-CZ 3.95Å
20	L	95.3	Very high	92.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-66.6	-48.8	-177.6	-66	178.9	0	0	0	112.4	V8 K16 T17 S22 Y23 T24 Y40 L55 D57 F169	V8-L20 HydrophobicContact CB-CD1 4.46Å; V8-L20 HydrophobicContact CG2-CD1 3.95Å; V8-L20 HydrophobicContact CG2-CD2 3.77Å; V8-L20 HydrophobicContact CG2-CG 4.15Å; K16-L20 WeakPolarHBondContact O-CG 3.35Å; K16-L20 PolarHBondContact O-N 3.32Å; K16-L20 VanDerWaalsContact O-N 3.1Å; T17-L20 PolarHBondContact O-N 2.93Å; L20-S22 PolarHBondContact O-N 3.4Å; L20-Y23 PolarHBondContact O-N 3.3Å; L20-T24 WeakPolarHBondContact O-CG2 3.26Å; L20-T24 PolarHBondContact O-N 3.19Å; L20-T24 PolarHBondContact O-OG1 3.05Å; L20-Y40 HydrophobicContact CB-CD2 4.36Å; L20-Y40 HydrophobicContact CB-CE2 4.41Å; L20-Y40 HydrophobicContact CD1-CD2 4.43Å; L20-Y40 HydrophobicContact CD1-CE2 4.5Å; L20-L55 HydrophobicContact CD2-CB 3.88Å; L20-L55 HydrophobicContact CD2-CD1 4.01Å; L20-L55 HydrophobicContact CD2-CD2 4.1Å; L20-L55 HydrophobicContact CD2-CG 4.21Å; L20-D57 HydrophobicContact CD1-CB 3.41Å; L20-D57 VanDerWaalsContact CD1-CB 3.41Å; L20-F169 HydrophobicContact CD2-CE1 3.89Å; L20-F169 HydrophobicContact CD2-CZ 3.91Å
21	I	92.9	Very high	91.6	Very high	37 Å²	37	49.8 Å²	49.8	19%	0.19	29%	0.285	C	S	.	.	H	α-helix	trans	-62.7	-44.6	178.7	-66.8	174.3	0	0	0	110.6	T17 Y23 T24 T25 P29 Y40	T17-I21 HydrophobicContact CG2-CD1 3.78Å; T17-I21 HydrophobicContact CG2-CG1 4.41Å; T17-I21 WeakPolarHBondContact O-CB 3.49Å; T17-I21 WeakPolarHBondContact O-CG1 3.37Å; T17-I21 PolarHBondContact O-N 2.84Å; I21-Y23 VanDerWaalsContact C-N 3.28Å; I21-Y23 PolarHBondContact O-N 2.88Å; I21-T24 PolarHBondContact O-N 2.82Å; I21-T24 PolarHBondContact O-OG1 3.21Å; I21-T25 HydrophobicContact CG2-CG2 4.26Å; I21-T25 WeakPolarHBondContact O-CB 3.2Å; I21-T25 WeakPolarHBondContact O-CG2 2.92Å; I21-T25 PolarHBondContact O-N 3.11Å; I21-T25 PolarHBondContact O-OG1 3.31Å; I21-P29 HydrophobicContact CD1-CB 4.31Å; I21-P29 HydrophobicContact CD1-CG 4.44Å; I21-P29 HydrophobicContact CG2-CB 4.19Å; I21-P29 HydrophobicContact CG2-CG 4.36Å; I21-Y40 HydrophobicContact CG1-CE1 4.29Å
22	S	94.2	Very high	90.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.5	-35.3	-179.7	-173.4	0	0	0	0	112.3	C18 L20 N26 K27 A159 L165	C18-S22 WeakPolarHBondContact O-CB 3.48Å; C18-S22 PolarHBondContact O-N 2.73Å; L20-S22 PolarHBondContact O-N 3.4Å; S22-N26 VanDerWaalsContact O-CA 3.25Å; S22-N26 WeakPolarHBondContact O-CA 3.37Å; S22-N26 PolarHBondContact O-N 2.89Å; S22-K27 VanDerWaalsContact CA-O 3.28Å; S22-K27 WeakPolarHBondContact CA-O 3.18Å; S22-A159 PolarHBondContact OG-O 2.75Å; S22-A159 VanDerWaalsContact OG-O 3.08Å; S22-L165 WeakPolarHBondContact OG-CD2 3.46Å
23	Y	94.4	Very high	89.3	Confident	37 Å²	37	58.5 Å²	58.5	15%	0.145	32%	0.318	C	S	.	.	H	α-helix	trans	-71.7	-41.8	178.4	174.4	-113.1	0	0	0	111.7	L19 L20 I21 V42 L53 L55 L165 F169	L19-Y23 WeakPolarHBondContact O-CB 3.5Å; L19-Y23 PolarHBondContact O-N 2.73Å; L20-Y23 PolarHBondContact O-N 3.3Å; I21-Y23 VanDerWaalsContact C-N 3.28Å; I21-Y23 PolarHBondContact O-N 2.88Å; Y23-V42 HydrophobicContact CE1-CG2 3.74Å; Y23-L53 HydrophobicContact CE1-CD2 4.08Å; Y23-L55 HydrophobicContact CD1-CD1 3.89Å; Y23-L55 HydrophobicContact CE1-CD1 4.19Å; Y23-L165 HydrophobicContact CD2-CG 4.46Å; Y23-F169 HydrophobicContact CD1-CD1 4.02Å; Y23-F169 AromaticContact CD1-CD2 3.64Å; Y23-F169 HydrophobicContact CD1-CD2 3.64Å; Y23-F169 HydrophobicContact CD1-CE1 4.01Å; Y23-F169 AromaticContact CD1-CE2 3.65Å; Y23-F169 HydrophobicContact CD1-CE2 3.65Å; Y23-F169 AromaticContact CD1-CG 3.83Å; Y23-F169 HydrophobicContact CD1-CG 3.83Å; Y23-F169 AromaticContact CD1-CZ 3.82Å; Y23-F169 HydrophobicContact CD1-CZ 3.82Å; Y23-F169 AromaticContact CD2-CD2 3.28Å; Y23-F169 HydrophobicContact CD2-CD2 3.28Å; Y23-F169 AromaticContact CD2-CE2 3.66Å; Y23-F169 HydrophobicContact CD2-CE2 3.66Å; Y23-F169 HydrophobicContact CD2-CG 4.02Å; Y23-F169 HydrophobicContact CE1-CB 4.05Å; Y23-F169 AromaticContact CE1-CD1 3.93Å; Y23-F169 HydrophobicContact CE1-CD1 3.93Å; Y23-F169 AromaticContact CE1-CD2 3.86Å; Y23-F169 HydrophobicContact CE1-CD2 3.86Å; Y23-F169 HydrophobicContact CE1-CE1 4.36Å; Y23-F169 HydrophobicContact CE1-CE2 4.33Å; Y23-F169 AromaticContact CE1-CG 3.65Å; Y23-F169 HydrophobicContact CE1-CG 3.65Å; Y23-F169 HydrophobicContact CE2-CB 3.88Å; Y23-F169 AromaticContact CE2-CD2 3.54Å; Y23-F169 HydrophobicContact CE2-CD2 3.54Å; Y23-F169 HydrophobicContact CE2-CE2 4.34Å; Y23-F169 AromaticContact CE2-CG 3.86Å; Y23-F169 HydrophobicContact CE2-CG 3.86Å; Y23-F169 AromaticContact CG-CD2 3.33Å; Y23-F169 HydrophobicContact CG-CD2 3.33Å; Y23-F169 HydrophobicContact CG-CE1 4.46Å; Y23-F169 AromaticContact CG-CE2 3.26Å; Y23-F169 HydrophobicContact CG-CE2 3.26Å; Y23-F169 HydrophobicContact CG-CG 4.01Å; Y23-F169 AromaticContact CG-CZ 3.86Å; Y23-F169 HydrophobicContact CG-CZ 3.86Å; Y23-F169 AromaticContact CZ-CD2 3.83Å; Y23-F169 AromaticContact CZ-CG 3.67Å
24	T	91.7	Very high	88.4	Confident	38 Å²	38	58.7 Å²	58.7	23%	0.233	31%	0.313	C	S	.	.	H	α-helix	trans	-77.6	-28.5	-176.8	54.7	0	0	0	0	113.5	L20 I21 Y40 V42 L55	L20-T24 WeakPolarHBondContact O-CG2 3.26Å; L20-T24 PolarHBondContact O-N 3.19Å; L20-T24 PolarHBondContact O-OG1 3.05Å; I21-T24 PolarHBondContact O-N 2.82Å; I21-T24 PolarHBondContact O-OG1 3.21Å; T24-Y40 HydrophobicContact CG2-CG 4.5Å; T24-V42 HydrophobicContact CG2-CG1 3.6Å; T24-L55 HydrophobicContact CG2-CD1 3.65Å
25	T	90	Very high	87.6	Confident	70 Å²	70	59 Å²	59	43%	0.429	32%	0.315	S	S	.	.	H	α-helix	trans	-112.2	-6	-174.2	69.4	0	0	0	0	114.5	I21 K27	I21-T25 HydrophobicContact CG2-CG2 4.26Å; I21-T25 WeakPolarHBondContact O-CB 3.2Å; I21-T25 WeakPolarHBondContact O-CG2 2.92Å; I21-T25 PolarHBondContact O-N 3.11Å; I21-T25 PolarHBondContact O-OG1 3.31Å; T25-K27 PolarHBondContact O-N 3.5Å; T25-K27 PolarHBondContact OG1-N 2.95Å; T25-K27 PolarHBondContact OG1-O 3.15Å
26	N	88.4	Confident	86.4	Confident	115 Å²	115	62.3 Å²	62.3	62%	0.615	33%	0.332	S	S	*	.	S	Bend	trans	53.9	25.7	-169.6	-64.7	-50.3	0	0	0	113.6	S22 Q162	S22-N26 VanDerWaalsContact O-CA 3.25Å; S22-N26 WeakPolarHBondContact O-CA 3.37Å; S22-N26 PolarHBondContact O-N 2.89Å; N26-Q162 PolarHBondContact O-NE2 3.04Å
27	K	87.4	Confident	84.9	Confident	152 Å²	152	65.7 Å²	65.7	66%	0.661	35%	0.347	S	S	*	.	S	Bend	trans	-140.8	139.4	-179.9	-67.3	-177.6	-178.3	179.3	0	111	S22 T25	S22-K27 VanDerWaalsContact CA-O 3.28Å; S22-K27 WeakPolarHBondContact CA-O 3.18Å; T25-K27 PolarHBondContact O-N 3.5Å; T25-K27 PolarHBondContact OG1-N 2.95Å; T25-K27 PolarHBondContact OG1-O 3.15Å
28	F	86.2	Confident	84.2	Confident	92 Å²	92	68.1 Å²	68.1	40%	0.404	36%	0.359	S	S	.	.			trans	-73	135.6	170.3	-168.6	-98.8	0	0	0	110	C18 S30 A159 L160	C18-F28 HydrophobicContact CB-CD2 4.43Å; C18-F28 HydrophobicContact CB-CE2 3.74Å; C18-F28 HydrophobicContact CB-CZ 4.28Å; F28-S30 PolarHBondContact O-N 3.33Å; F28-A159 HydrophobicContact CD2-CB 4.01Å; F28-A159 HydrophobicContact CE2-CB 3.94Å; F28-L160 HydrophobicContact CB-CD1 4.36Å; F28-L160 HydrophobicContact CD1-CD1 3.93Å; F28-L160 VanDerWaalsContact CD2-CA 3.46Å; F28-L160 HydrophobicContact CD2-CB 4.12Å; F28-L160 HydrophobicContact CD2-CD1 4.3Å; F28-L160 HydrophobicContact CE1-CD1 4.28Å; F28-L160 HydrophobicContact CE2-CB 4.14Å; F28-L160 HydrophobicContact CG-CD1 3.93Å
29	P	83.8	Confident	83.6	Confident	27 Å²	27	71.4 Å²	71.4	18%	0.175	38%	0.375	C	S	.	.			trans	-65.2	134.2	179.3	25.5	-33.1	0	0	0	111.3	C18 I21	C18-P29 HydrophobicContact CB-CG 4.28Å; I21-P29 HydrophobicContact CD1-CB 4.31Å; I21-P29 HydrophobicContact CD1-CG 4.44Å; I21-P29 HydrophobicContact CG2-CB 4.19Å; I21-P29 HydrophobicContact CG2-CG 4.36Å
30	S	77.1	Confident	83.3	Confident	123 Å²	123	74.2 Å²	74.2	86%	0.86	39%	0.386	S	S	*	.	S	Bend	trans	-79.8	-20.4	178.7	52.5	0	0	0	0	113.6	F28	F28-S30 PolarHBondContact O-N 3.33Å
31	E	77.8	Confident	83	Confident	157 Å²	157	77.7 Å²	77.7	73%	0.734	42%	0.415	S	S	*	.	S	Bend	trans	-123.9	136.2	-179.4	-65.9	-178.3	-172.7	0	0	110
32	Y	69.1	Low	83	Confident	137 Å²	137	77.4 Å²	77.4	54%	0.537	42%	0.415	S	S	.	.			trans	-91.1	112.4	173.8	179.6	-111	0	0	0	110	P34	Y32-P34 HydrophobicContact CD1-CG 4.45Å; Y32-P34 HydrophobicContact CE1-CG 3.86Å
33	V	75.1	Confident	83	Confident	103 Å²	103	81.9 Å²	81.9	62%	0.624	44%	0.442	S	S	*	.			trans	-110.9	120.2	170	-177.9	0	0	0	0	107.6	T35	V33-T35 PolarHBondContact O-N 2.94Å
34	P	76.3	Confident	82.9	Confident	76 Å²	76	81.1 Å²	81.1	49%	0.494	44%	0.442	S	S	.	.			trans	-61.1	125.2	176.5	-23.2	32.7	0	0	0	112	Y32	Y32-P34 HydrophobicContact CD1-CG 4.45Å; Y32-P34 HydrophobicContact CE1-CG 3.86Å
35	T	80.1	Confident	82.8	Confident	9 Å²	9	85.3 Å²	85.3	6%	0.055	46%	0.46	C	S	.	.			trans	-74.1	134.3	178.9	-58.5	0	0	0	0	111.9	T17 V33 D57 A59	T17-T35 WeakPolarHBondContact CG2-OG1 3.08Å; T17-T35 PolarHBondContact OG1-OG1 2.84Å; V33-T35 PolarHBondContact O-N 2.94Å; T35-D57 WeakPolarHBondContact CB-OD2 3.35Å; T35-D57 HydrophobicContact CG2-CB 4.03Å; T35-D57 WeakPolarHBondContact CG2-OD2 3.34Å; T35-D57 PolarHBondContact OG1-OD2 2.72Å; T35-A59 VanDerWaalsContact O-CB 3.26Å; T35-A59 WeakPolarHBondContact O-CB 3.44Å
36	V	71.4	Confident	82.7	Confident	83 Å²	83	84 Å²	84	50%	0.503	45%	0.45	S	S	.	.	S	Bend	trans	-92.6	-56.7	160.4	178.1	0	0	0	0	109.1	A59 Y64	V36-A59 PolarHBondContact O-N 2.8Å; V36-Y64 HydrophobicContact CB-CE1 4.28Å; V36-Y64 HydrophobicContact CG1-CD1 4.08Å; V36-Y64 HydrophobicContact CG1-CE1 3.64Å; V36-Y64 HydrophobicContact CG2-CE1 4.03Å
37	F	64.3	Low	82.7	Confident	81 Å²	81	82.7 Å²	82.7	36%	0.355	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	135.1	172.7	-178.9	-107.9	0	0	0	109.4	N39 F56 D57 S71	F37-N39 WeakPolarHBondContact CE1-ND2 3.25Å; F37-N39 WeakPolarHBondContact CE1-OD1 3.28Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.35Å; F37-F56 HydrophobicContact CE2-CB 4.4Å; F37-F56 HydrophobicContact CE2-CD1 4.03Å; F37-F56 AromaticContact CZ-CD1 3.65Å; F37-F56 HydrophobicContact CZ-CD1 3.65Å; F37-F56 HydrophobicContact CZ-CE1 4.21Å; F37-D57 WeakPolarHBondContact CD2-O 3.43Å; F37-S71 WeakPolarHBondContact CD2-OG 3.35Å; F37-S71 WeakPolarHBondContact CE2-OG 3.34Å
38	D	80.8	Confident	82.7	Confident	74 Å²	74	78.1 Å²	78.1	40%	0.396	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	146.6	174	-82.5	-50	0	0	0	110.8	Y40 D57	D38-Y40 HydrophobicContact CB-CD2 4.5Å; D38-Y40 HydrophobicContact CB-CE2 3.64Å; D38-D57 HydrophobicContact CB-CB 4.26Å; D38-D57 PolarHBondContact N-O 3.29Å; D38-D57 PolarHBondContact O-N 3.1Å
39	N	84.4	Confident	82.9	Confident	87 Å²	87	79.7 Å²	79.7	47%	0.465	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.7	176.2	-68.4	-33.4	0	0	0	110.4	F37 L55 F56	F37-N39 WeakPolarHBondContact CE1-ND2 3.25Å; F37-N39 WeakPolarHBondContact CE1-OD1 3.28Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.35Å; N39-L55 CarbonylContact C-O 3.44Å; N39-L55 WeakPolarHBondContact CA-O 3.09Å; N39-F56 WeakPolarHBondContact OD1-CD1 3.21Å; N39-F56 WeakPolarHBondContact OD1-CE1 3.37Å; N39-F56 WeakPolarHBondContact OD1-CG 3.4Å
40	Y	87.9	Confident	83.4	Confident	60 Å²	60	81 Å²	81	24%	0.235	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	155	173	-50.9	-97.5	0	0	0	109.4	L20 I21 T24 D38 L55 D57	L20-Y40 HydrophobicContact CB-CD2 4.36Å; L20-Y40 HydrophobicContact CB-CE2 4.41Å; L20-Y40 HydrophobicContact CD1-CD2 4.43Å; L20-Y40 HydrophobicContact CD1-CE2 4.5Å; I21-Y40 HydrophobicContact CG1-CE1 4.29Å; T24-Y40 HydrophobicContact CG2-CG 4.5Å; D38-Y40 HydrophobicContact CB-CD2 4.5Å; D38-Y40 HydrophobicContact CB-CE2 3.64Å; Y40-L55 PolarHBondContact N-O 3.03Å; Y40-L55 PolarHBondContact O-N 3.11Å; Y40-D57 HydrophobicContact CE2-CB 4.41Å
41	A	91	Very high	84.2	Confident	74 Å²	74	76.6 Å²	76.6	61%	0.612	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.1	134.4	174	0	0	0	0	0	110	T52 L53	A41-T52 HydrophobicContact CB-CG2 4.2Å; A41-L53 WeakPolarHBondContact CA-O 3.42Å
42	V	92.6	Very high	85.1	Confident	30 Å²	30	70.5 Å²	70.5	18%	0.182	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	147.7	172.5	-64	0	0	0	0	110.2	Y23 T24 V44 L53	Y23-V42 HydrophobicContact CE1-CG2 3.74Å; T24-V42 HydrophobicContact CG2-CG1 3.6Å; V42-V44 HydrophobicContact CG2-CG1 4.17Å; V42-L53 HydrophobicContact CG2-CB 3.95Å; V42-L53 HydrophobicContact CG2-CD2 4.24Å; V42-L53 HydrophobicContact CG2-CG 4.48Å; V42-L53 PolarHBondContact N-O 3.5Å; V42-L53 PolarHBondContact O-N 3.08Å
43	T	93.1	Very high	86.3	Confident	94 Å²	94	64 Å²	64	58%	0.577	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.4	171.9	-58.5	0	0	0	0	109.1	M1 P50 Y51	M1-T43 HydrophobicContact CE-CG2 3.73Å; T43-P50 HydrophobicContact CG2-CB 4.16Å; T43-Y51 CarbonylContact C-O 3.59Å; T43-Y51 WeakPolarHBondContact CA-O 3.35Å
44	V	92.1	Very high	87.4	Confident	22 Å²	22	59.4 Å²	59.4	13%	0.133	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.7	177.9	-63	0	0	0	0	109.9	V42 I46 Y51 L53 I173	V42-V44 HydrophobicContact CG2-CG1 4.17Å; V44-I46 HydrophobicContact CG2-CD1 4.15Å; V44-I46 HydrophobicContact CG2-CG1 4.21Å; V44-Y51 PolarHBondContact N-O 3Å; V44-Y51 PolarHBondContact O-N 3.36Å; V44-L53 HydrophobicContact CG2-CB 4.47Å; V44-I173 HydrophobicContact CB-CD1 4.42Å; V44-I173 HydrophobicContact CG1-CD1 4.38Å; V44-I173 HydrophobicContact CG2-CD1 3.89Å
45	M	91.1	Very high	88.4	Confident	125 Å²	125	55.8 Å²	55.8	62%	0.616	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.4	178	-62.7	-59.8	-66.4	0	0	109.7	G48 E49 P50	M45-G48 WeakPolarHBondContact CE-O 3.4Å; M45-E49 WeakPolarHBondContact CA-O 3.37Å; M45-P50 HydrophobicContact SD-CB 3.94Å
46	I	88.1	Confident	89.1	Confident	43 Å²	43	57.4 Å²	57.4	22%	0.221	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116.9	-179.6	-51.9	173.7	0	0	0	107.9	I4 V44 G48 E49 Y51 I173 L177	I4-I46 HydrophobicContact CD1-CD1 4.12Å; V44-I46 HydrophobicContact CG2-CD1 4.15Å; V44-I46 HydrophobicContact CG2-CG1 4.21Å; I46-G48 PolarHBondContact O-N 2.9Å; I46-G48 VanDerWaalsContact O-N 3.11Å; I46-E49 PolarHBondContact N-O 3.33Å; I46-E49 PolarHBondContact O-N 3.47Å; I46-Y51 HydrophobicContact CB-CD2 3.8Å; I46-Y51 HydrophobicContact CB-CE2 3.91Å; I46-Y51 HydrophobicContact CD1-CD1 4.04Å; I46-Y51 HydrophobicContact CD1-CD2 3.71Å; I46-Y51 HydrophobicContact CD1-CE2 4.25Å; I46-Y51 HydrophobicContact CD1-CG 3.62Å; I46-Y51 HydrophobicContact CG1-CD2 3.93Å; I46-Y51 HydrophobicContact CG1-CE2 4.48Å; I46-Y51 HydrophobicContact CG1-CG 4.27Å; I46-I173 HydrophobicContact CD1-CG2 3.25Å; I46-I173 HydrophobicContact CG1-CG2 4.14Å; I46-L177 HydrophobicContact CD1-CD1 3.77Å; I46-L177 HydrophobicContact CG2-CD1 3.91Å
47	G	86.5	Confident	90.3	Very high	88 Å²	88	53.4 Å²	53.4	91%	0.907	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	23.4	-177.4	0	0	0	0	0	114.3	E49	G47-E49 VanDerWaalsContact C-N 3.34Å
48	G	88.9	Confident	91.8	Very high	56 Å²	56	49.7 Å²	49.7	58%	0.577	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	-5.5	-175.1	0	0	0	0	0	115	M45 I46	M45-G48 WeakPolarHBondContact CE-O 3.4Å; I46-G48 PolarHBondContact O-N 2.9Å; I46-G48 VanDerWaalsContact O-N 3.11Å
49	E	90.6	Very high	92.3	Very high	124 Å²	124	46.3 Å²	46.3	58%	0.579	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	141.4	178.3	-68.4	-62.6	141.6	0	0	111.6	M45 I46 G47 Y51	M45-E49 WeakPolarHBondContact CA-O 3.37Å; I46-E49 PolarHBondContact N-O 3.33Å; I46-E49 PolarHBondContact O-N 3.47Å; G47-E49 VanDerWaalsContact C-N 3.34Å; E49-Y51 HydrophobicContact CB-CD2 4.45Å; E49-Y51 HydrophobicContact CB-CE2 3.94Å; E49-Y51 WeakPolarHBondContact O-CD2 3.27Å
50	P	93.1	Very high	92.5	Very high	54 Å²	54	42.5 Å²	42.5	35%	0.351	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	128.1	177.9	31.5	-33.3	0	0	0	112.2	T43 M45	T43-P50 HydrophobicContact CG2-CB 4.16Å; M45-P50 HydrophobicContact SD-CB 3.94Å
51	Y	94.3	Very high	92.6	Very high	32 Å²	32	42.5 Å²	42.5	13%	0.125	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	143.9	174.6	-77	-109.7	0	0	0	110.6	Q2 I4 T43 V44 I46 E49 L177	Q2-Y51 HydrophobicContact CB-CD1 3.6Å; Q2-Y51 HydrophobicContact CB-CE1 3.45Å; Q2-Y51 VanDerWaalsContact CB-CE1 3.45Å; Q2-Y51 HydrophobicContact CB-CG 4.44Å; Q2-Y51 HydrophobicContact CG-CE1 4.13Å; Q2-Y51 WeakPolarHBondContact O-CA 3.35Å; Q2-Y51 PolarHBondContact OE1-OH 3.31Å; I4-Y51 HydrophobicContact CD1-CD1 3.98Å; I4-Y51 HydrophobicContact CG1-CD1 4.2Å; T43-Y51 CarbonylContact C-O 3.59Å; T43-Y51 WeakPolarHBondContact CA-O 3.35Å; V44-Y51 PolarHBondContact N-O 3Å; V44-Y51 PolarHBondContact O-N 3.36Å; I46-Y51 HydrophobicContact CB-CD2 3.8Å; I46-Y51 HydrophobicContact CB-CE2 3.91Å; I46-Y51 HydrophobicContact CD1-CD1 4.04Å; I46-Y51 HydrophobicContact CD1-CD2 3.71Å; I46-Y51 HydrophobicContact CD1-CE2 4.25Å; I46-Y51 HydrophobicContact CD1-CG 3.62Å; I46-Y51 HydrophobicContact CG1-CD2 3.93Å; I46-Y51 HydrophobicContact CG1-CE2 4.48Å; I46-Y51 HydrophobicContact CG1-CG 4.27Å; E49-Y51 HydrophobicContact CB-CD2 4.45Å; E49-Y51 HydrophobicContact CB-CE2 3.94Å; E49-Y51 WeakPolarHBondContact O-CD2 3.27Å; Y51-L177 HydrophobicContact CE1-CD2 3.94Å
52	T	95.6	Very high	92.5	Very high	28 Å²	28	46 Å²	46	17%	0.172	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	117.2	168.2	-59.3	0	0	0	0	108.8	M1 Q2 T3 I4 A41	M1-T52 WeakPolarHBondContact CE-OG1 3.06Å; M1-T52 PolarHBondContact SD-OG1 3.35Å; M1-T52 VanDerWaalsContact SD-OG1 3.35Å; Q2-T52 PolarHBondContact O-N 3.06Å; T3-T52 CarbonylContact C-O 3.59Å; T3-T52 VanDerWaalsContact CA-O 3.29Å; T3-T52 WeakPolarHBondContact CA-O 3.37Å; T3-T52 HydrophobicContact CG2-CG2 4.34Å; I4-T52 PolarHBondContact N-O 2.89Å; A41-T52 HydrophobicContact CB-CG2 4.2Å
53	L	96.1	Very high	92.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	106.2	167.9	-179.3	63.9	0	0	0	108.8	I4 C6 Y23 A41 V42 V44 L55 F169 I173	I4-L53 HydrophobicContact CB-CD1 4.05Å; I4-L53 HydrophobicContact CG2-CD1 3.87Å; C6-L53 HydrophobicContact CB-CD1 3.96Å; Y23-L53 HydrophobicContact CE1-CD2 4.08Å; A41-L53 WeakPolarHBondContact CA-O 3.42Å; V42-L53 HydrophobicContact CG2-CB 3.95Å; V42-L53 HydrophobicContact CG2-CD2 4.24Å; V42-L53 HydrophobicContact CG2-CG 4.48Å; V42-L53 PolarHBondContact N-O 3.5Å; V42-L53 PolarHBondContact O-N 3.08Å; V44-L53 HydrophobicContact CG2-CB 4.47Å; L53-L55 HydrophobicContact CD1-CD2 4.29Å; L53-L55 HydrophobicContact CD2-CD2 3.8Å; L53-L55 HydrophobicContact CD2-CG 4.49Å; L53-L55 HydrophobicContact CG-CD2 3.73Å; L53-L55 HydrophobicContact CG-CG 4.22Å; L53-F169 HydrophobicContact CD2-CB 4.32Å; L53-F169 HydrophobicContact CD2-CD1 4.07Å; L53-I173 HydrophobicContact CD1-CG1 4.29Å; L53-I173 HydrophobicContact CD2-CD1 4.19Å; L53-I173 HydrophobicContact CD2-CG1 4.33Å
54	G	97.1	Very high	92.4	Very high	7 Å²	7	50.3 Å²	50.3	7%	0.072	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122.2	171.8	0	0	0	0	0	110.5	I4 C6	I4-G54 PolarHBondContact O-N 3.35Å; C6-G54 PolarHBondContact N-O 3.47Å
55	L	96.4	Very high	92.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.3	-175.3	-59.2	171.8	0	0	0	109.3	C6 L20 Y23 T24 N39 Y40 L53 F169	C6-L55 HydrophobicContact CB-CD2 4.05Å; C6-L55 WeakPolarHBondContact O-CA 3.49Å; L20-L55 HydrophobicContact CD2-CB 3.88Å; L20-L55 HydrophobicContact CD2-CD1 4.01Å; L20-L55 HydrophobicContact CD2-CD2 4.1Å; L20-L55 HydrophobicContact CD2-CG 4.21Å; Y23-L55 HydrophobicContact CD1-CD1 3.89Å; Y23-L55 HydrophobicContact CE1-CD1 4.19Å; T24-L55 HydrophobicContact CG2-CD1 3.65Å; N39-L55 CarbonylContact C-O 3.44Å; N39-L55 WeakPolarHBondContact CA-O 3.09Å; Y40-L55 PolarHBondContact N-O 3.03Å; Y40-L55 PolarHBondContact O-N 3.11Å; L53-L55 HydrophobicContact CD1-CD2 4.29Å; L53-L55 HydrophobicContact CD2-CD2 3.8Å; L53-L55 HydrophobicContact CD2-CG 4.49Å; L53-L55 HydrophobicContact CG-CD2 3.73Å; L53-L55 HydrophobicContact CG-CG 4.22Å; L55-F169 HydrophobicContact CD1-CE1 4.32Å; L55-F169 HydrophobicContact CD2-CD1 3.87Å; L55-F169 HydrophobicContact CD2-CE1 3.61Å
56	F	96.6	Very high	92.5	Very high	43 Å²	43	56.8 Å²	56.8	19%	0.189	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	103.2	-174.4	-71.3	-114.9	0	0	0	108.6	K5 C6 V7 V8 F37 N39	K5-F56 HydrophobicContact CB-CE2 4.43Å; K5-F56 HydrophobicContact CD-CD2 4.31Å; K5-F56 HydrophobicContact CD-CE1 4.34Å; K5-F56 HydrophobicContact CD-CE2 3.87Å; K5-F56 HydrophobicContact CD-CZ 3.9Å; K5-F56 HydrophobicContact CG-CD2 3.8Å; K5-F56 HydrophobicContact CG-CE2 3.6Å; K5-F56 HydrophobicContact CG-CZ 4.17Å; C6-F56 PolarHBondContact O-N 3.42Å; V7-F56 HydrophobicContact CB-CB 4.32Å; V7-F56 HydrophobicContact CG1-CB 4.41Å; V7-F56 HydrophobicContact CG2-CB 3.82Å; V7-F56 HydrophobicContact CG2-CG 4.2Å; V8-F56 PolarHBondContact N-O 3.26Å; F37-F56 HydrophobicContact CE2-CB 4.4Å; F37-F56 HydrophobicContact CE2-CD1 4.03Å; F37-F56 AromaticContact CZ-CD1 3.65Å; F37-F56 HydrophobicContact CZ-CD1 3.65Å; F37-F56 HydrophobicContact CZ-CE1 4.21Å; N39-F56 WeakPolarHBondContact OD1-CD1 3.21Å; N39-F56 WeakPolarHBondContact OD1-CE1 3.37Å; N39-F56 WeakPolarHBondContact OD1-CG 3.4Å
57	D	95.4	Very high	92.7	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	136.7	175.2	-161.8	11.8	0	0	0	110.1	T17 L20 T35 F37 D38 Y40	T17-D57 WeakPolarHBondContact CA-OD2 3.35Å; T17-D57 VanDerWaalsContact CB-OD2 3.27Å; T17-D57 WeakPolarHBondContact CB-OD2 3.19Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.46Å; T17-D57 PolarHBondContact OG1-OD2 3.01Å; L20-D57 HydrophobicContact CD1-CB 3.41Å; L20-D57 VanDerWaalsContact CD1-CB 3.41Å; T35-D57 WeakPolarHBondContact CB-OD2 3.35Å; T35-D57 HydrophobicContact CG2-CB 4.03Å; T35-D57 WeakPolarHBondContact CG2-OD2 3.34Å; T35-D57 PolarHBondContact OG1-OD2 2.72Å; F37-D57 WeakPolarHBondContact CD2-O 3.43Å; D38-D57 HydrophobicContact CB-CB 4.26Å; D38-D57 PolarHBondContact N-O 3.29Å; D38-D57 PolarHBondContact O-N 3.1Å; Y40-D57 HydrophobicContact CE2-CB 4.41Å
58	T	95.1	Very high	93.1	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145	-179.6	72.7	0	0	0	0	112.6	V7 V8 K16 R68	V7-T58 HydrophobicContact CG1-CG2 3.91Å; V8-T58 PolarHBondContact O-OG1 2.82Å; K16-T58 WeakPolarHBondContact CE-O 2.86Å; T58-R68 HydrophobicContact CG2-CG 4.12Å
59	A	91.6	Very high	93.5	Very high	3 Å²	3	54.1 Å²	54.1	3%	0.025	26%	0.261	C	S	.	.			trans	-62.5	135.1	173.1	0	0	0	0	0	111.6	T35 V36 Y64 R68	T35-A59 VanDerWaalsContact O-CB 3.26Å; T35-A59 WeakPolarHBondContact O-CB 3.44Å; V36-A59 PolarHBondContact O-N 2.8Å; A59-Y64 HydrophobicContact CB-CD1 4.28Å; A59-Y64 HydrophobicContact CB-CD2 3.39Å; A59-Y64 HydrophobicContact CB-CE2 4.1Å; A59-Y64 HydrophobicContact CB-CG 3.5Å; A59-R68 PolarHBondContact O-NE 3.09Å; A59-R68 PolarHBondContact O-NH2 3.27Å
60	G	89.7	Confident	93.7	Very high	7 Å²	7	54.3 Å²	54.3	7%	0.072	27%	0.265	C	S	.	.			trans	-93.1	-8.2	178.8	0	0	0	0	0	114.4	G10	G10-G60 WeakPolarHBondContact O-CA 3.02Å
61	Q	90	Very high	93.8	Very high	59 Å²	59	52.3 Å²	52.3	28%	0.276	25%	0.252	S	S	.	.	S	Bend	trans	-79.1	148.9	-178.3	-54.1	84.1	-19.6	0	0	110.9	D63 Y64 R68	Q61-D63 PolarHBondContact O-N 3.44Å; Q61-Y64 HydrophobicContact CB-CD2 4.08Å; Q61-Y64 HydrophobicContact CB-CE2 4.44Å; Q61-Y64 PolarHBondContact O-N 2.65Å; Q61-Y64 VanDerWaalsContact O-N 3.16Å; Q61-R68 PolarHBondContact O-NH2 3.16Å; Q61-R68 VanDerWaalsContact O-NH2 3.12Å
62	E	88.6	Confident	93.9	Very high	148 Å²	148	50.9 Å²	50.9	69%	0.692	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-63.5	-29.4	-178.2	-62.1	-175.4	166.4	0	0	113	Y64 D65	E62-Y64 PolarHBondContact O-N 2.97Å; E62-D65 WeakPolarHBondContact O-CB 3.46Å; E62-D65 PolarHBondContact O-N 2.97Å
63	D	91.5	Very high	94	Very high	145 Å²	145	53.2 Å²	53.2	78%	0.775	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-54.7	-23.1	175.8	-62.8	-40.5	0	0	0	112.9	Q61	Q61-D63 PolarHBondContact O-N 3.44Å
64	Y	91.4	Very high	94	Very high	69 Å²	69	61.8 Å²	61.8	27%	0.271	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-105.3	5.7	-179	-58.3	-80	0	0	0	114	V36 A59 Q61 E62 R66 L67 R68	V36-Y64 HydrophobicContact CB-CE1 4.28Å; V36-Y64 HydrophobicContact CG1-CD1 4.08Å; V36-Y64 HydrophobicContact CG1-CE1 3.64Å; V36-Y64 HydrophobicContact CG2-CE1 4.03Å; A59-Y64 HydrophobicContact CB-CD1 4.28Å; A59-Y64 HydrophobicContact CB-CD2 3.39Å; A59-Y64 HydrophobicContact CB-CE2 4.1Å; A59-Y64 HydrophobicContact CB-CG 3.5Å; Q61-Y64 HydrophobicContact CB-CD2 4.08Å; Q61-Y64 HydrophobicContact CB-CE2 4.44Å; Q61-Y64 PolarHBondContact O-N 2.65Å; Q61-Y64 VanDerWaalsContact O-N 3.16Å; E62-Y64 PolarHBondContact O-N 2.97Å; Y64-R66 PolarHBondContact O-N 2.88Å; Y64-R66 VanDerWaalsContact O-N 3.1Å; Y64-L67 HydrophobicContact CD1-CD1 4.11Å; Y64-L67 PolarHBondContact O-N 3.27Å; Y64-R68 WeakPolarHBondContact O-CB 3.33Å; Y64-R68 PolarHBondContact O-N 2.81Å
65	D	92.3	Very high	94	Very high	52 Å²	52	61.9 Å²	61.9	28%	0.278	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.8	-176.9	-79.2	-7.4	0	0	0	113.1	E62 R68 P69 K96	E62-D65 WeakPolarHBondContact O-CB 3.46Å; E62-D65 PolarHBondContact O-N 2.97Å; D65-R68 IonicContact OD1-CZ 3.24Å; D65-R68 VanDerWaalsContact OD1-CZ 3.24Å; D65-R68 IonicContact OD1-NH1 2.88Å; D65-R68 PolarHBondContact OD1-NH1 3.12Å; D65-R68 IonicContact OD1-NH2 2.7Å; D65-R68 PolarHBondContact OD1-NH2 3.31Å; D65-P69 WeakPolarHBondContact O-CD 3.12Å; D65-K96 VanDerWaalsContact CG-NZ 3.33Å; D65-K96 WeakPolarHBondContact OD1-CE 3.29Å; D65-K96 IonicContact OD1-NZ 2.97Å; D65-K96 PolarHBondContact OD1-NZ 2.85Å; D65-K96 IonicContact OD2-NZ 2.75Å; D65-K96 PolarHBondContact OD2-NZ 2.9Å
66	R	92.8	Very high	94.1	Very high	232 Å²	232	65 Å²	65	88%	0.875	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-23.3	176.7	-64.6	-174.6	179.8	-175.9	0.9	114	Y64	Y64-R66 PolarHBondContact O-N 2.88Å; Y64-R66 VanDerWaalsContact O-N 3.1Å
67	L	92.9	Very high	94.2	Very high	100 Å²	100	62.9 Å²	62.9	52%	0.524	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-36.3	-177.2	-66.7	175.8	0	0	0	111.4	Y64 P69 L70	Y64-L67 HydrophobicContact CD1-CD1 4.11Å; Y64-L67 PolarHBondContact O-N 3.27Å; L67-P69 VanDerWaalsContact C-CD 3.48Å; L67-L70 HydrophobicContact CD2-CD1 4.13Å; L67-L70 VanDerWaalsContact O-CB 3.23Å; L67-L70 WeakPolarHBondContact O-CB 3.07Å; L67-L70 VanDerWaalsContact O-CG 3.31Å; L67-L70 WeakPolarHBondContact O-CG 3.48Å; L67-L70 PolarHBondContact O-N 3.2Å
68	R	95.5	Very high	94.3	Very high	6 Å²	6	63 Å²	63	2%	0.023	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-51.6	-43.5	-178.7	-168.2	-173.9	-47	111.6	7.1	113.9	T58 A59 Q61 Y64 D65 L70 S71 Y72 W97 E100	T58-R68 HydrophobicContact CG2-CG 4.12Å; A59-R68 PolarHBondContact O-NE 3.09Å; A59-R68 PolarHBondContact O-NH2 3.27Å; Q61-R68 PolarHBondContact O-NH2 3.16Å; Q61-R68 VanDerWaalsContact O-NH2 3.12Å; Y64-R68 WeakPolarHBondContact O-CB 3.33Å; Y64-R68 PolarHBondContact O-N 2.81Å; D65-R68 IonicContact OD1-CZ 3.24Å; D65-R68 VanDerWaalsContact OD1-CZ 3.24Å; D65-R68 IonicContact OD1-NH1 2.88Å; D65-R68 PolarHBondContact OD1-NH1 3.12Å; D65-R68 IonicContact OD1-NH2 2.7Å; D65-R68 PolarHBondContact OD1-NH2 3.31Å; R68-L70 PolarHBondContact O-N 2.7Å; R68-L70 VanDerWaalsContact O-N 3.11Å; R68-S71 WeakPolarHBondContact O-CB 3.45Å; R68-S71 PolarHBondContact O-N 2.95Å; R68-Y72 WeakPolarHBondContact CD-OH 3.19Å; R68-Y72 HydrophobicContact CG-CE1 4.04Å; R68-Y72 WeakPolarHBondContact CG-OH 3.45Å; R68-W97 VanDerWaalsContact CZ-CZ3 3.43Å; R68-E100 WeakPolarHBondContact CD-OE1 3.44Å; R68-E100 IonicContact CZ-OE1 3.97Å; R68-E100 IonicContact NH1-OE1 3.05Å; R68-E100 PolarHBondContact NH1-OE1 2.57Å; R68-E100 IonicContact NH1-OE2 3Å; R68-E100 PolarHBondContact NH1-OE2 2.96Å
69	P	96.4	Very high	94.5	Very high	24 Å²	24	62.8 Å²	62.8	16%	0.156	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-65.3	-16.7	-179	-24.3	36.7	0	0	0	114.7	D65 L67 S71 Y72	D65-P69 WeakPolarHBondContact O-CD 3.12Å; L67-P69 VanDerWaalsContact C-CD 3.48Å; P69-S71 PolarHBondContact O-N 3Å; P69-Y72 HydrophobicContact CB-CD2 3.95Å; P69-Y72 HydrophobicContact CB-CE2 4.09Å; P69-Y72 HydrophobicContact CG-CE2 4.24Å; P69-Y72 WeakPolarHBondContact O-CB 3.31Å; P69-Y72 PolarHBondContact O-N 3.05Å; P69-Y72 VanDerWaalsContact O-N 3.15Å
70	L	94.9	Very high	94.9	Very high	129 Å²	129	62.7 Å²	62.7	68%	0.675	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-64.1	-20	174.3	-57.2	178.1	0	0	0	112.1	L67 R68 P73	L67-L70 HydrophobicContact CD2-CD1 4.13Å; L67-L70 VanDerWaalsContact O-CB 3.23Å; L67-L70 WeakPolarHBondContact O-CB 3.07Å; L67-L70 VanDerWaalsContact O-CG 3.31Å; L67-L70 WeakPolarHBondContact O-CG 3.48Å; L67-L70 PolarHBondContact O-N 3.2Å; R68-L70 PolarHBondContact O-N 2.7Å; R68-L70 VanDerWaalsContact O-N 3.11Å; L70-P73 WeakPolarHBondContact O-CD 3.34Å
71	S	95.6	Very high	95.3	Very high	12 Å²	12	62.3 Å²	62.3	8%	0.084	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-86.5	-11.3	178.1	-53.9	0	0	0	0	113.6	K5 F37 R68 P69	K5-S71 WeakPolarHBondContact CE-O 3.42Å; K5-S71 PolarHBondContact NZ-O 2.88Å; F37-S71 WeakPolarHBondContact CD2-OG 3.35Å; F37-S71 WeakPolarHBondContact CE2-OG 3.34Å; R68-S71 WeakPolarHBondContact O-CB 3.45Å; R68-S71 PolarHBondContact O-N 2.95Å; P69-S71 PolarHBondContact O-N 3Å
72	Y	97.6	Very high	95.7	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.008	29%	0.291	C	S	.	.			trans	-81.6	-24.8	-173.3	-60.9	-11.2	0	0	0	117.4	V7 V9 R68 P69 Q74 T75 F78 E100 H104 C105	V7-Y72 HydrophobicContact CG1-CD1 4.05Å; V7-Y72 HydrophobicContact CG1-CE1 4Å; V9-Y72 HydrophobicContact CG1-CE1 3.88Å; V9-Y72 WeakPolarHBondContact CG1-OH 3.24Å; R68-Y72 WeakPolarHBondContact CD-OH 3.19Å; R68-Y72 HydrophobicContact CG-CE1 4.04Å; R68-Y72 WeakPolarHBondContact CG-OH 3.45Å; P69-Y72 HydrophobicContact CB-CD2 3.95Å; P69-Y72 HydrophobicContact CB-CE2 4.09Å; P69-Y72 HydrophobicContact CG-CE2 4.24Å; P69-Y72 WeakPolarHBondContact O-CB 3.31Å; P69-Y72 PolarHBondContact O-N 3.05Å; P69-Y72 VanDerWaalsContact O-N 3.15Å; Y72-Q74 PolarHBondContact O-N 3.1Å; Y72-T75 WeakPolarHBondContact O-CB 3.33Å; Y72-T75 PolarHBondContact O-N 3.43Å; Y72-T75 PolarHBondContact O-OG1 3.47Å; Y72-F78 AromaticContact CD1-CE1 3.61Å; Y72-F78 HydrophobicContact CD1-CE1 3.61Å; Y72-F78 AromaticContact CD1-CZ 4Å; Y72-F78 HydrophobicContact CD1-CZ 4Å; Y72-F78 AromaticContact CE1-CE1 3.83Å; Y72-F78 HydrophobicContact CE1-CE1 3.83Å; Y72-F78 HydrophobicContact CG-CE1 4.1Å; Y72-F78 HydrophobicContact CG-CZ 4.02Å; Y72-E100 HydrophobicContact CE2-CG 4.27Å; Y72-E100 PolarHBondContact OH-OE1 2.61Å; Y72-H104 HydrophobicContact CD2-CB 3.69Å; Y72-H104 AromaticContact CD2-CD2 3.96Å; Y72-H104 AromaticContact CD2-CG 3.9Å; Y72-H104 HydrophobicContact CE2-CB 4.42Å; Y72-H104 AromaticContact CE2-CD2 3.97Å; Y72-C105 PolarHBondContact O-SG 3.32Å
73	P	96.8	Very high	96.2	Very high	76 Å²	76	52.6 Å²	52.6	49%	0.494	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	134.7	179.6	-28.8	36.3	0	0	0	111.9	K5 L70 T75	K5-P73 PolarHBondContact NZ-O 2.75Å; L70-P73 WeakPolarHBondContact O-CD 3.34Å; P73-T75 PolarHBondContact O-N 2.88Å
74	Q	95.4	Very high	96.6	Very high	181 Å²	181	45.7 Å²	45.7	85%	0.846	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	24.8	178.7	-50.4	174.6	-57.7	0	0	114.6	Y72	Y72-Q74 PolarHBondContact O-N 3.1Å
75	T	98	Very high	96.9	Very high	8 Å²	8	43.3 Å²	43.3	5%	0.049	21%	0.214	C	C	.	.			trans	-69.1	130	170.9	-61.6	0	0	0	0	111.1	V7 Y72 P73 V77 F78 T108	V7-T75 HydrophobicContact CB-CG2 4.02Å; V7-T75 HydrophobicContact CG2-CG2 3.75Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.44Å; Y72-T75 WeakPolarHBondContact O-CB 3.33Å; Y72-T75 PolarHBondContact O-N 3.43Å; Y72-T75 PolarHBondContact O-OG1 3.47Å; P73-T75 PolarHBondContact O-N 2.88Å; T75-V77 WeakPolarHBondContact CG2-O 3.32Å; T75-F78 HydrophobicContact CG2-CD1 4.18Å; T75-F78 HydrophobicContact CG2-CD2 3.84Å; T75-F78 HydrophobicContact CG2-CE1 4Å; T75-F78 HydrophobicContact CG2-CE2 3.63Å; T75-F78 HydrophobicContact CG2-CG 4.1Å; T75-F78 HydrophobicContact CG2-CZ 3.72Å; T75-T108 HydrophobicContact CG2-CG2 3.96Å; T75-T108 WeakPolarHBondContact O-CG2 3.14Å; T75-T108 PolarHBondContact O-OG1 3.48Å
76	D	97.9	Very high	97.2	Very high	65 Å²	65	42.6 Å²	42.6	35%	0.348	21%	0.213	S	C	.	.	S	Bend	trans	-87.9	-32.9	176.8	-59.1	-57.7	0	0	0	111.7	I4 K5 P109 A176	I4-D76 WeakPolarHBondContact CA-OD2 3.29Å; I4-D76 HydrophobicContact CG2-CB 4.2Å; K5-D76 PolarHBondContact N-OD2 2.86Å; K5-D76 PolarHBondContact O-N 3.18Å; D76-P109 WeakPolarHBondContact O-CD 3.14Å; D76-P109 WeakPolarHBondContact O-CG 3.13Å; D76-A176 HydrophobicContact CB-CB 3.96Å
77	V	98.6	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	142.7	176.7	63.1	0	0	0	0	112	K5 C6 V7 T75 P109 L111 A172 A175 A176	K5-V77 PolarHBondContact O-N 3.34Å; C6-V77 WeakPolarHBondContact CA-O 3.5Å; C6-V77 HydrophobicContact CB-CG1 3.92Å; V7-V77 PolarHBondContact N-O 2.89Å; V7-V77 VanDerWaalsContact N-O 3.09Å; T75-V77 WeakPolarHBondContact CG2-O 3.32Å; V77-P109 WeakPolarHBondContact CA-O 3.26Å; V77-L111 HydrophobicContact CG2-CD1 3.92Å; V77-A172 HydrophobicContact CG1-CB 4.13Å; V77-A172 HydrophobicContact CG2-CB 4.41Å; V77-A175 HydrophobicContact CG2-CB 4.13Å; V77-A176 HydrophobicContact CB-CB 4.12Å; V77-A176 HydrophobicContact CG1-CB 4.09Å
78	F	98.8	Very high	97.7	Very high	1 Å²	1	30 Å²	30	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	144.5	169.9	-71.2	-86	0	0	0	112.3	V7 V9 Y72 T75 I101 C105 T108 P109 F110 L111	V7-F78 HydrophobicContact CB-CD1 3.73Å; V7-F78 HydrophobicContact CB-CE1 3.7Å; V7-F78 HydrophobicContact CG1-CD1 4.01Å; V7-F78 HydrophobicContact CG1-CE1 3.82Å; V7-F78 HydrophobicContact CG2-CE1 4.35Å; V7-F78 CarbonylContact O-C 3.56Å; V7-F78 WeakPolarHBondContact O-CA 3.35Å; V9-F78 HydrophobicContact CG1-CD1 4.38Å; Y72-F78 AromaticContact CD1-CE1 3.61Å; Y72-F78 HydrophobicContact CD1-CE1 3.61Å; Y72-F78 AromaticContact CD1-CZ 4Å; Y72-F78 HydrophobicContact CD1-CZ 4Å; Y72-F78 AromaticContact CE1-CE1 3.83Å; Y72-F78 HydrophobicContact CE1-CE1 3.83Å; Y72-F78 HydrophobicContact CG-CE1 4.1Å; Y72-F78 HydrophobicContact CG-CZ 4.02Å; T75-F78 HydrophobicContact CG2-CD1 4.18Å; T75-F78 HydrophobicContact CG2-CD2 3.84Å; T75-F78 HydrophobicContact CG2-CE1 4Å; T75-F78 HydrophobicContact CG2-CE2 3.63Å; T75-F78 HydrophobicContact CG2-CG 4.1Å; T75-F78 HydrophobicContact CG2-CZ 3.72Å; F78-I101 HydrophobicContact CB-CD1 4.07Å; F78-I101 HydrophobicContact CD1-CB 4.48Å; F78-I101 HydrophobicContact CD1-CG2 3.89Å; F78-I101 HydrophobicContact CD2-CB 4.31Å; F78-I101 HydrophobicContact CD2-CD1 4.32Å; F78-I101 HydrophobicContact CE1-CB 4.46Å; F78-I101 HydrophobicContact CE1-CG2 3.95Å; F78-I101 HydrophobicContact CE2-CB 4.3Å; F78-I101 HydrophobicContact CG-CB 4.41Å; F78-I101 HydrophobicContact CG-CD1 4.18Å; F78-I101 HydrophobicContact CG-CG2 4.22Å; F78-I101 HydrophobicContact CZ-CB 4.37Å; F78-I101 HydrophobicContact CZ-CG2 4.34Å; F78-C105 HydrophobicContact CE2-CB 3.66Å; F78-C105 HydrophobicContact CZ-CB 4.09Å; F78-T108 HydrophobicContact CD2-CG2 3.5Å; F78-T108 HydrophobicContact CE2-CG2 3.57Å; F78-P109 PolarHBondContact N-O 3.37Å; F78-F110 HydrophobicContact CB-CB 3.74Å; F78-F110 CarbonylContact O-C 3.53Å; F78-F110 WeakPolarHBondContact O-CA 3.31Å; F78-L111 PolarHBondContact O-N 3.19Å
79	L	98.9	Very high	97.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	115.2	160.5	-60.7	-175.8	0	0	0	108.3	V7 V8 V9 L19 L111 V113 V168 F169 A172	V7-L79 PolarHBondContact O-N 3.34Å; V8-L79 HydrophobicContact CB-CB 4.49Å; V8-L79 HydrophobicContact CG1-CB 4.12Å; V8-L79 HydrophobicContact CG2-CB 4.27Å; V8-L79 HydrophobicContact CG2-CD1 4.09Å; V9-L79 PolarHBondContact N-O 2.95Å; L19-L79 HydrophobicContact CD2-CD1 4.17Å; L79-L111 HydrophobicContact CD2-CB 3.94Å; L79-L111 HydrophobicContact CD2-CD1 3.84Å; L79-L111 HydrophobicContact CD2-CG 4.5Å; L79-V113 HydrophobicContact CB-CG2 4.06Å; L79-V113 HydrophobicContact CD2-CG2 3.91Å; L79-V113 HydrophobicContact CG-CG2 4.43Å; L79-V168 HydrophobicContact CD1-CG1 3.75Å; L79-V168 HydrophobicContact CD2-CG1 4.12Å; L79-F169 HydrophobicContact CD1-CE1 4.11Å; L79-A172 HydrophobicContact CD2-CB 3.97Å
80	V	98.9	Very high	98	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	102.8	174.5	-174.8	0	0	0	0	108.1	V9 V93 W97 V98 I101 F110 L111 V113	V9-V80 HydrophobicContact CG2-CB 4.4Å; V9-V80 HydrophobicContact CG2-CG1 4.46Å; V9-V80 HydrophobicContact CG2-CG2 3.94Å; V80-V93 HydrophobicContact CG1-CG1 3.95Å; V80-V93 HydrophobicContact CG1-CG2 4.32Å; V80-W97 HydrophobicContact CG1-CB 3.75Å; V80-W97 HydrophobicContact CG1-CG 4.48Å; V80-V98 HydrophobicContact CG1-CG2 4.46Å; V80-I101 HydrophobicContact CG2-CD1 3.62Å; V80-F110 HydrophobicContact CB-CD2 4.37Å; V80-F110 HydrophobicContact CG2-CB 4.22Å; V80-F110 HydrophobicContact CG2-CD2 3.71Å; V80-F110 HydrophobicContact CG2-CE2 4.44Å; V80-F110 HydrophobicContact CG2-CG 4.23Å; V80-L111 PolarHBondContact N-O 3.3Å; V80-V113 PolarHBondContact O-N 2.91Å
81	C	98.9	Very high	98.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	139.7	-173.3	-63.7	0	0	0	0	112.3	V8 V9 G10 V14 K16 V113 T115	V8-C81 VanDerWaalsContact CG1-SG 3.54Å; V9-C81 PolarHBondContact O-N 3.17Å; G10-C81 WeakPolarHBondContact CA-O 3.38Å; V14-C81 HydrophobicContact CG2-CB 3.98Å; K16-C81 HydrophobicContact CG-CB 4Å; C81-V113 WeakPolarHBondContact CA-O 3.41Å; C81-T115 HydrophobicContact CB-CG2 4.18Å
82	F	98.9	Very high	98.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	155.9	164.3	74	-84.2	0	0	0	109	V84 F90 V93 L112 V113 T115 I137 A142 Y154	F82-V84 HydrophobicContact CE2-CG1 3.96Å; F82-V84 HydrophobicContact CZ-CG1 4.33Å; F82-F90 HydrophobicContact CD1-CD2 4.03Å; F82-F90 HydrophobicContact CD2-CB 3.78Å; F82-F90 AromaticContact CD2-CD2 3.62Å; F82-F90 HydrophobicContact CD2-CD2 3.62Å; F82-F90 HydrophobicContact CD2-CG 4.17Å; F82-F90 AromaticContact CE1-CD2 3.86Å; F82-F90 HydrophobicContact CE1-CD2 3.86Å; F82-F90 HydrophobicContact CE1-CE2 4.16Å; F82-F90 HydrophobicContact CE2-CB 4.27Å; F82-F90 AromaticContact CE2-CD2 3.47Å; F82-F90 HydrophobicContact CE2-CD2 3.47Å; F82-F90 VanDerWaalsContact CE2-CD2 3.47Å; F82-F90 HydrophobicContact CE2-CE2 4.18Å; F82-F90 HydrophobicContact CE2-CG 4.23Å; F82-F90 HydrophobicContact CG-CB 4.26Å; F82-F90 AromaticContact CG-CD2 3.91Å; F82-F90 HydrophobicContact CG-CD2 3.91Å; F82-F90 AromaticContact CZ-CD2 3.6Å; F82-F90 HydrophobicContact CZ-CD2 3.6Å; F82-F90 AromaticContact CZ-CE2 3.91Å; F82-F90 HydrophobicContact CZ-CE2 3.91Å; F82-V93 HydrophobicContact CB-CG2 3.95Å; F82-V93 HydrophobicContact CD1-CG2 4.23Å; F82-V93 HydrophobicContact CG-CG2 4.37Å; F82-L112 HydrophobicContact CD1-CD1 3.81Å; F82-L112 HydrophobicContact CD1-CG 4.25Å; F82-L112 HydrophobicContact CE1-CD1 3.96Å; F82-L112 HydrophobicContact CE1-CD2 4.16Å; F82-L112 HydrophobicContact CE1-CG 3.88Å; F82-V113 WeakPolarHBondContact CD1-O 3.17Å; F82-V113 PolarHBondContact N-O 3.06Å; F82-T115 PolarHBondContact O-N 2.87Å; F82-T115 PolarHBondContact O-OG1 2.65Å; F82-I137 HydrophobicContact CE2-CB 4.04Å; F82-I137 HydrophobicContact CE2-CG1 4.17Å; F82-I137 HydrophobicContact CE2-CG2 3.91Å; F82-I137 HydrophobicContact CZ-CG2 4.27Å; F82-A142 HydrophobicContact CE1-CB 4.36Å; F82-A142 HydrophobicContact CZ-CB 3.78Å; F82-Y154 AromaticContact CE1-CE2 3.76Å; F82-Y154 HydrophobicContact CE1-CE2 3.76Å; F82-Y154 AromaticContact CZ-CE2 3.87Å; F82-Y154 HydrophobicContact CZ-CE2 3.87Å
83	S	98.8	Very high	98.4	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	131.9	173	166.2	0	0	0	0	110.1	V85 S86 S89 T115 Q116	S83-V85 PolarHBondContact O-N 3.04Å; S83-V85 VanDerWaalsContact OG-CG2 3.24Å; S83-V85 WeakPolarHBondContact OG-CG2 3.3Å; S83-V85 PolarHBondContact OG-N 3.25Å; S83-S86 PolarHBondContact O-N 2.93Å; S83-S89 PolarHBondContact N-OG 3.16Å; S83-S89 PolarHBondContact O-OG 3.49Å; S83-T115 WeakPolarHBondContact CA-OG1 3.31Å; S83-Q116 PolarHBondContact OG-OE1 3.12Å
84	V	98.8	Very high	98.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-11	179.3	-53.7	0	0	0	0	112.8	F82 T115 I117 R120 P136 I137	F82-V84 HydrophobicContact CE2-CG1 3.96Å; F82-V84 HydrophobicContact CZ-CG1 4.33Å; V84-T115 PolarHBondContact N-O 3.15Å; V84-I117 HydrophobicContact CG1-CG2 4.01Å; V84-I117 HydrophobicContact CG2-CB 4.48Å; V84-I117 HydrophobicContact CG2-CG2 4.13Å; V84-R120 HydrophobicContact CG2-CB 4.21Å; V84-P136 CarbonylContact O-C 3.29Å; V84-P136 VanDerWaalsContact O-CA 3.24Å; V84-P136 WeakPolarHBondContact O-CA 3.28Å; V84-I137 HydrophobicContact CB-CB 4.48Å; V84-I137 PolarHBondContact O-N 3.35Å
85	V	98.6	Very high	98.6	Very high	19 Å²	19	31.2 Å²	31.2	12%	0.115	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	13.6	174.2	-62.4	0	0	0	0	112.9	S83 L119 T125 L129 P136	S83-V85 PolarHBondContact O-N 3.04Å; S83-V85 VanDerWaalsContact OG-CG2 3.24Å; S83-V85 WeakPolarHBondContact OG-CG2 3.3Å; S83-V85 PolarHBondContact OG-N 3.25Å; V85-L119 HydrophobicContact CB-CB 4.4Å; V85-L119 HydrophobicContact CG1-CB 3.7Å; V85-L119 WeakPolarHBondContact CG1-O 3.24Å; V85-L119 HydrophobicContact CG2-CB 3.9Å; V85-L119 HydrophobicContact CG2-CD1 3.85Å; V85-T125 HydrophobicContact CB-CG2 3.64Å; V85-T125 HydrophobicContact CG1-CG2 3.67Å; V85-T125 HydrophobicContact CG2-CG2 4.06Å; V85-L129 HydrophobicContact CB-CD1 4.14Å; V85-P136 HydrophobicContact CG1-CB 4.35Å; V85-P136 HydrophobicContact CG1-CG 4.47Å
86	S	98.5	Very high	98.6	Very high	36 Å²	36	32.7 Å²	32.7	25%	0.252	17%	0.166	S	C	.	.			trans	-126.8	90.3	172.3	178	0	0	0	0	110.2	S83 S88 S89 F90	S83-S86 PolarHBondContact O-N 2.93Å; S86-S88 VanDerWaalsContact C-N 3.25Å; S86-S88 PolarHBondContact O-N 3.49Å; S86-S88 PolarHBondContact OG-OG 3.49Å; S86-S89 WeakPolarHBondContact CB-OG 3.36Å; S86-S89 PolarHBondContact O-N 3.36Å; S86-S89 PolarHBondContact O-OG 2.91Å; S86-S89 PolarHBondContact OG-OG 2.98Å; S86-F90 PolarHBondContact O-N 3.48Å
87	P	98.4	Very high	98.7	Very high	13 Å²	13	29.6 Å²	29.6	8%	0.084	15%	0.15	C	C	.	.	H	α-helix	trans	-57.7	-34.2	-179.6	-28.2	37	0	0	0	114.3	S89 F90 E91 L129 Q134 I137	P87-S89 VanDerWaalsContact C-N 3.33Å; P87-S89 PolarHBondContact O-N 2.91Å; P87-F90 WeakPolarHBondContact O-CB 3.41Å; P87-F90 PolarHBondContact O-N 3.37Å; P87-F90 VanDerWaalsContact O-N 3.15Å; P87-E91 PolarHBondContact O-N 2.88Å; P87-L129 HydrophobicContact CG-CD2 4.3Å; P87-Q134 HydrophobicContact CG-CB 4.11Å; P87-Q134 HydrophobicContact CG-CG 4.23Å; P87-I137 HydrophobicContact CB-CD1 4.23Å; P87-I137 HydrophobicContact CG-CD1 4.41Å
88	S	98.3	Very high	98.7	Very high	56 Å²	56	30.1 Å²	30.1	39%	0.392	15%	0.153	S	C	.	.	H	α-helix	trans	-62.2	-40.4	174.8	56.5	0	0	0	0	112.1	S86 F90 E91 N92	S86-S88 VanDerWaalsContact C-N 3.25Å; S86-S88 PolarHBondContact O-N 3.49Å; S86-S88 PolarHBondContact OG-OG 3.49Å; S88-F90 PolarHBondContact O-N 3.33Å; S88-E91 PolarHBondContact O-N 3.25Å; S88-N92 WeakPolarHBondContact O-CB 3.28Å; S88-N92 VanDerWaalsContact O-CG 3.3Å; S88-N92 PolarHBondContact O-N 3.08Å; S88-N92 PolarHBondContact O-ND2 2.98Å
89	S	98.8	Very high	98.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.8	-29.4	176.9	75.4	0	0	0	0	112.7	D11 S83 S86 P87 V93	D11-S89 VanDerWaalsContact OD2-CA 3.31Å; D11-S89 WeakPolarHBondContact OD2-CA 3.23Å; S83-S89 PolarHBondContact N-OG 3.16Å; S83-S89 PolarHBondContact O-OG 3.49Å; S86-S89 WeakPolarHBondContact CB-OG 3.36Å; S86-S89 PolarHBondContact O-N 3.36Å; S86-S89 PolarHBondContact O-OG 2.91Å; S86-S89 PolarHBondContact OG-OG 2.98Å; P87-S89 VanDerWaalsContact C-N 3.33Å; P87-S89 PolarHBondContact O-N 2.91Å; S89-V93 WeakPolarHBondContact O-CG2 3.44Å; S89-V93 PolarHBondContact O-N 3.3Å
90	F	98.8	Very high	98.6	Very high	23 Å²	23	34.4 Å²	34.4	10%	0.101	18%	0.179	C	C	.	.	H	α-helix	trans	-72.8	-41	175.1	-179	-106.8	0	0	0	112.1	F82 S86 P87 S88 V93 I137 T141 A142 L145	F82-F90 HydrophobicContact CD1-CD2 4.03Å; F82-F90 HydrophobicContact CD2-CB 3.78Å; F82-F90 AromaticContact CD2-CD2 3.62Å; F82-F90 HydrophobicContact CD2-CD2 3.62Å; F82-F90 HydrophobicContact CD2-CG 4.17Å; F82-F90 AromaticContact CE1-CD2 3.86Å; F82-F90 HydrophobicContact CE1-CD2 3.86Å; F82-F90 HydrophobicContact CE1-CE2 4.16Å; F82-F90 HydrophobicContact CE2-CB 4.27Å; F82-F90 AromaticContact CE2-CD2 3.47Å; F82-F90 HydrophobicContact CE2-CD2 3.47Å; F82-F90 VanDerWaalsContact CE2-CD2 3.47Å; F82-F90 HydrophobicContact CE2-CE2 4.18Å; F82-F90 HydrophobicContact CE2-CG 4.23Å; F82-F90 HydrophobicContact CG-CB 4.26Å; F82-F90 AromaticContact CG-CD2 3.91Å; F82-F90 HydrophobicContact CG-CD2 3.91Å; F82-F90 AromaticContact CZ-CD2 3.6Å; F82-F90 HydrophobicContact CZ-CD2 3.6Å; F82-F90 AromaticContact CZ-CE2 3.91Å; F82-F90 HydrophobicContact CZ-CE2 3.91Å; S86-F90 PolarHBondContact O-N 3.48Å; P87-F90 WeakPolarHBondContact O-CB 3.41Å; P87-F90 PolarHBondContact O-N 3.37Å; P87-F90 VanDerWaalsContact O-N 3.15Å; S88-F90 PolarHBondContact O-N 3.33Å; F90-V93 VanDerWaalsContact O-CB 3.32Å; F90-V93 WeakPolarHBondContact O-CB 3.21Å; F90-V93 WeakPolarHBondContact O-CG2 3.42Å; F90-V93 PolarHBondContact O-N 2.83Å; F90-I137 HydrophobicContact CB-CD1 4.11Å; F90-I137 HydrophobicContact CB-CG1 3.98Å; F90-I137 HydrophobicContact CD1-CD1 3.92Å; F90-I137 HydrophobicContact CD1-CG1 4.4Å; F90-I137 HydrophobicContact CD1-CG2 4.47Å; F90-I137 HydrophobicContact CD2-CG1 4.47Å; F90-I137 HydrophobicContact CD2-CG2 4.02Å; F90-I137 HydrophobicContact CE1-CG2 4.44Å; F90-I137 HydrophobicContact CE2-CG2 3.97Å; F90-I137 HydrophobicContact CG-CD1 4.05Å; F90-I137 HydrophobicContact CG-CG1 4.04Å; F90-I137 HydrophobicContact CG-CG2 4.25Å; F90-I137 HydrophobicContact CZ-CG2 4.18Å; F90-T141 HydrophobicContact CE1-CG2 3.82Å; F90-T141 HydrophobicContact CZ-CG2 3.92Å; F90-A142 HydrophobicContact CE2-CB 3.82Å; F90-A142 HydrophobicContact CZ-CB 4.36Å; F90-L145 HydrophobicContact CD1-CD2 4.44Å; F90-L145 HydrophobicContact CD2-CD2 3.91Å; F90-L145 HydrophobicContact CE1-CD2 3.96Å; F90-L145 HydrophobicContact CE2-CB 4.04Å; F90-L145 HydrophobicContact CE2-CD2 3.37Å; F90-L145 HydrophobicContact CE2-CG 4.32Å; F90-L145 HydrophobicContact CG-CD2 4.43Å; F90-L145 HydrophobicContact CZ-CB 3.62Å; F90-L145 HydrophobicContact CZ-CD2 3.41Å; F90-L145 VanDerWaalsContact CZ-CD2 3.41Å; F90-L145 HydrophobicContact CZ-CG 4.1Å
91	E	98.6	Very high	98.6	Very high	111 Å²	111	34.6 Å²	34.6	52%	0.519	18%	0.179	S	C	.	.	H	α-helix	trans	-61.8	-45	173.8	-69.7	169.6	175.8	0	0	111	P87 S88 V93 K94 E95	P87-E91 PolarHBondContact O-N 2.88Å; S88-E91 PolarHBondContact O-N 3.25Å; E91-V93 PolarHBondContact O-N 2.78Å; E91-V93 VanDerWaalsContact O-N 3.08Å; E91-K94 PolarHBondContact O-N 2.85Å; E91-E95 PolarHBondContact O-N 3.22Å
92	N	98.8	Very high	98.6	Very high	45 Å²	45	37.8 Å²	37.8	24%	0.241	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-21	179	-75	-21.5	0	0	0	114	D11 S88 K94 E95 K96 W97	D11-N92 WeakPolarHBondContact OD1-CB 3.31Å; D11-N92 PolarHBondContact OD1-ND2 2.92Å; D11-N92 PolarHBondContact OD2-ND2 3.39Å; S88-N92 WeakPolarHBondContact O-CB 3.28Å; S88-N92 VanDerWaalsContact O-CG 3.3Å; S88-N92 PolarHBondContact O-N 3.08Å; S88-N92 PolarHBondContact O-ND2 2.98Å; N92-K94 VanDerWaalsContact C-N 3.29Å; N92-K94 PolarHBondContact O-N 2.98Å; N92-E95 PolarHBondContact O-N 2.95Å; N92-K96 WeakPolarHBondContact O-CA 3.43Å; N92-K96 WeakPolarHBondContact O-CB 3.39Å; N92-K96 PolarHBondContact O-N 3.2Å; N92-W97 VanDerWaalsContact O-CD1 3.26Å; N92-W97 PolarHBondContact O-N 2.89Å
93	V	98.8	Very high	98.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	I	π-helix	trans	-55.1	-48.7	171.6	174.4	0	0	0	0	110.4	V80 F82 S89 F90 E91 V98 L112 L145 L149	V80-V93 HydrophobicContact CG1-CG1 3.95Å; V80-V93 HydrophobicContact CG1-CG2 4.32Å; F82-V93 HydrophobicContact CB-CG2 3.95Å; F82-V93 HydrophobicContact CD1-CG2 4.23Å; F82-V93 HydrophobicContact CG-CG2 4.37Å; S89-V93 WeakPolarHBondContact O-CG2 3.44Å; S89-V93 PolarHBondContact O-N 3.3Å; F90-V93 VanDerWaalsContact O-CB 3.32Å; F90-V93 WeakPolarHBondContact O-CB 3.21Å; F90-V93 WeakPolarHBondContact O-CG2 3.42Å; F90-V93 PolarHBondContact O-N 2.83Å; E91-V93 PolarHBondContact O-N 2.78Å; E91-V93 VanDerWaalsContact O-N 3.08Å; V93-V98 HydrophobicContact CG1-CG2 3.94Å; V93-V98 WeakPolarHBondContact O-CB 3.5Å; V93-V98 WeakPolarHBondContact O-CG2 3.43Å; V93-V98 PolarHBondContact O-N 3.06Å; V93-L112 HydrophobicContact CB-CD1 4.43Å; V93-L112 HydrophobicContact CG1-CD1 3.59Å; V93-L112 HydrophobicContact CG2-CD1 3.99Å; V93-L145 HydrophobicContact CB-CD2 4.16Å; V93-L145 HydrophobicContact CG1-CD2 4.11Å; V93-L149 HydrophobicContact CG1-CD1 3.6Å
94	K	98.6	Very high	98.5	Very high	132 Å²	132	49 Å²	49	57%	0.574	25%	0.251	S	S	*	.	I	π-helix	trans	-79.8	-36.1	-177.7	177.7	174	178	-174.4	0	112.1	E91 N92 P99 L145 L149	E91-K94 PolarHBondContact O-N 2.85Å; N92-K94 VanDerWaalsContact C-N 3.29Å; N92-K94 PolarHBondContact O-N 2.98Å; K94-P99 VanDerWaalsContact O-CD 3.28Å; K94-P99 WeakPolarHBondContact O-CD 3.35Å; K94-P99 WeakPolarHBondContact O-CG 3.17Å; K94-L145 HydrophobicContact CB-CD1 4.37Å; K94-L145 HydrophobicContact CD-CD1 4.43Å; K94-L149 HydrophobicContact CB-CD1 4.36Å; K94-L149 HydrophobicContact CB-CD2 4.3Å; K94-L149 HydrophobicContact CG-CD2 4.07Å
95	E	98.3	Very high	98.4	Very high	143 Å²	143	49.8 Å²	49.8	67%	0.668	26%	0.256	S	S	*	.	I	π-helix	trans	-83.8	-30.8	-172	-62.6	-173.7	170.8	0	0	113	E91 N92	E91-E95 PolarHBondContact O-N 3.22Å; N92-E95 PolarHBondContact O-N 2.95Å
96	K	98.3	Very high	98.2	Very high	39 Å²	39	53.6 Å²	53.6	17%	0.17	28%	0.281	C	S	.	.	I	π-helix	trans	-124.3	-62	-174.6	178.9	172.8	179.4	161	0	112.9	D65 N92 P99 E100	D65-K96 VanDerWaalsContact CG-NZ 3.33Å; D65-K96 WeakPolarHBondContact OD1-CE 3.29Å; D65-K96 IonicContact OD1-NZ 2.97Å; D65-K96 PolarHBondContact OD1-NZ 2.85Å; D65-K96 IonicContact OD2-NZ 2.75Å; D65-K96 PolarHBondContact OD2-NZ 2.9Å; N92-K96 WeakPolarHBondContact O-CA 3.43Å; N92-K96 WeakPolarHBondContact O-CB 3.39Å; N92-K96 PolarHBondContact O-N 3.2Å; K96-P99 WeakPolarHBondContact O-CD 3.48Å; K96-E100 VanDerWaalsContact O-CB 3.3Å; K96-E100 WeakPolarHBondContact O-CB 3.26Å; K96-E100 PolarHBondContact O-N 3.34Å
97	W	98.7	Very high	98	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.305	C	S	.	.	I	π-helix	trans	-70	-48.2	-161.9	-61.6	112	0	0	0	113.9	V9 G10 D11 R68 V80 N92 E100 I101	V9-W97 HydrophobicContact CB-CE3 3.93Å; V9-W97 HydrophobicContact CB-CZ3 4.26Å; V9-W97 HydrophobicContact CG2-CE3 4.32Å; G10-W97 VanDerWaalsContact CA-CE2 3.42Å; G10-W97 WeakPolarHBondContact O-CH2 3.01Å; G10-W97 VanDerWaalsContact O-CZ2 3.25Å; G10-W97 WeakPolarHBondContact O-CZ2 3.35Å; D11-W97 PolarHBondContact OD1-NE1 2.69Å; R68-W97 VanDerWaalsContact CZ-CZ3 3.43Å; V80-W97 HydrophobicContact CG1-CB 3.75Å; V80-W97 HydrophobicContact CG1-CG 4.48Å; N92-W97 VanDerWaalsContact O-CD1 3.26Å; N92-W97 PolarHBondContact O-N 2.89Å; W97-E100 PolarHBondContact O-N 2.98Å; W97-I101 PolarHBondContact O-N 3.34Å
98	V	98.6	Very high	98	Very high	11 Å²	11	61.1 Å²	61.1	7%	0.067	31%	0.311	C	S	.	.	H	α-helix	trans	-66	-45	177.3	173	0	0	0	0	111.7	V80 V93 E100 I101 T102 F110 L149	V80-V98 HydrophobicContact CG1-CG2 4.46Å; V93-V98 HydrophobicContact CG1-CG2 3.94Å; V93-V98 WeakPolarHBondContact O-CB 3.5Å; V93-V98 WeakPolarHBondContact O-CG2 3.43Å; V93-V98 PolarHBondContact O-N 3.06Å; V98-E100 VanDerWaalsContact C-N 3.31Å; V98-E100 PolarHBondContact O-N 2.98Å; V98-I101 WeakPolarHBondContact O-CG1 3.49Å; V98-T102 WeakPolarHBondContact O-CB 3.25Å; V98-T102 PolarHBondContact O-N 2.77Å; V98-T102 PolarHBondContact O-OG1 2.97Å; V98-F110 HydrophobicContact CG1-CE1 4.39Å; V98-F110 HydrophobicContact CG1-CZ 4.04Å; V98-F110 HydrophobicContact CG2-CD2 4.48Å; V98-F110 HydrophobicContact CG2-CE2 3.73Å; V98-F110 HydrophobicContact CG2-CZ 3.88Å; V98-L149 HydrophobicContact CB-CD1 4.45Å; V98-L149 HydrophobicContact CG2-CD1 3.9Å
99	P	98.6	Very high	98	Very high	64 Å²	64	59.3 Å²	59.3	42%	0.416	30%	0.297	S	S	.	.	H	α-helix	trans	-53.8	-44.1	170.7	-29.2	35.5	0	0	0	113.8	K94 K96 T102 H103	K94-P99 VanDerWaalsContact O-CD 3.28Å; K94-P99 WeakPolarHBondContact O-CD 3.35Å; K94-P99 WeakPolarHBondContact O-CG 3.17Å; K96-P99 WeakPolarHBondContact O-CD 3.48Å; P99-T102 PolarHBondContact O-N 3.09Å; P99-H103 WeakPolarHBondContact O-CB 3.3Å; P99-H103 PolarHBondContact O-N 2.86Å
100	E	98.6	Very high	98	Very high	28 Å²	28	60.1 Å²	60.1	13%	0.131	30%	0.301	C	S	.	.	H	α-helix	trans	-63.7	-53.6	-178.9	-173.1	-178.7	117.5	0	0	112.1	R68 Y72 K96 W97 V98 T102 H103 H104	R68-E100 WeakPolarHBondContact CD-OE1 3.44Å; R68-E100 IonicContact CZ-OE1 3.97Å; R68-E100 IonicContact NH1-OE1 3.05Å; R68-E100 PolarHBondContact NH1-OE1 2.57Å; R68-E100 IonicContact NH1-OE2 3Å; R68-E100 PolarHBondContact NH1-OE2 2.96Å; Y72-E100 HydrophobicContact CE2-CG 4.27Å; Y72-E100 PolarHBondContact OH-OE1 2.61Å; K96-E100 VanDerWaalsContact O-CB 3.3Å; K96-E100 WeakPolarHBondContact O-CB 3.26Å; K96-E100 PolarHBondContact O-N 3.34Å; W97-E100 PolarHBondContact O-N 2.98Å; V98-E100 VanDerWaalsContact C-N 3.31Å; V98-E100 PolarHBondContact O-N 2.98Å; E100-T102 VanDerWaalsContact C-N 3.26Å; E100-T102 PolarHBondContact O-N 2.96Å; E100-H103 WeakPolarHBondContact O-CB 3.47Å; E100-H103 PolarHBondContact O-N 2.94Å; E100-H104 PolarHBondContact O-CD2 3.21Å; E100-H104 PolarHBondContact O-N 3.21Å
101	I	98.4	Very high	98	Very high	3 Å²	3	59 Å²	59	2%	0.015	30%	0.296	C	S	.	.	H	α-helix	trans	-66	-31.8	179.6	68.1	175.8	0	0	0	111.6	V9 F78 V80 W97 V98 C105 F110	V9-I101 HydrophobicContact CG1-CG2 4.43Å; V9-I101 HydrophobicContact CG2-CG2 4.02Å; F78-I101 HydrophobicContact CB-CD1 4.07Å; F78-I101 HydrophobicContact CD1-CB 4.48Å; F78-I101 HydrophobicContact CD1-CG2 3.89Å; F78-I101 HydrophobicContact CD2-CB 4.31Å; F78-I101 HydrophobicContact CD2-CD1 4.32Å; F78-I101 HydrophobicContact CE1-CB 4.46Å; F78-I101 HydrophobicContact CE1-CG2 3.95Å; F78-I101 HydrophobicContact CE2-CB 4.3Å; F78-I101 HydrophobicContact CG-CB 4.41Å; F78-I101 HydrophobicContact CG-CD1 4.18Å; F78-I101 HydrophobicContact CG-CG2 4.22Å; F78-I101 HydrophobicContact CZ-CB 4.37Å; F78-I101 HydrophobicContact CZ-CG2 4.34Å; V80-I101 HydrophobicContact CG2-CD1 3.62Å; W97-I101 PolarHBondContact O-N 3.34Å; V98-I101 WeakPolarHBondContact O-CG1 3.49Å; I101-C105 CarbonylContact O-C 3.56Å; I101-C105 VanDerWaalsContact O-CA 3.31Å; I101-C105 WeakPolarHBondContact O-CA 3.36Å; I101-C105 WeakPolarHBondContact O-CB 3.36Å; I101-C105 PolarHBondContact O-N 3.44Å; I101-F110 HydrophobicContact CD1-CB 3.86Å; I101-F110 HydrophobicContact CD1-CD1 4.07Å; I101-F110 HydrophobicContact CD1-CD2 4.4Å; I101-F110 HydrophobicContact CD1-CG 3.87Å
102	T	97.8	Very high	98	Very high	67 Å²	67	53.8 Å²	53.8	41%	0.411	27%	0.272	S	S	.	.	H	α-helix	trans	-71	-34.8	177.5	-56.6	0	0	0	0	111.3	V98 P99 E100 P106	V98-T102 WeakPolarHBondContact O-CB 3.25Å; V98-T102 PolarHBondContact O-N 2.77Å; V98-T102 PolarHBondContact O-OG1 2.97Å; P99-T102 PolarHBondContact O-N 3.09Å; E100-T102 VanDerWaalsContact C-N 3.26Å; E100-T102 PolarHBondContact O-N 2.96Å; T102-P106 VanDerWaalsContact O-CA 3.26Å; T102-P106 WeakPolarHBondContact O-CA 3.44Å; T102-P106 WeakPolarHBondContact O-CB 3.33Å
103	H	97.8	Very high	98	Very high	151 Å²	151	51.7 Å²	51.7	70%	0.699	26%	0.26	S	S	*	.	H	α-helix	trans	-63.9	-45.2	175.9	178.2	71.4	0	0	0	111.6	P99 E100	P99-H103 WeakPolarHBondContact O-CB 3.3Å; P99-H103 PolarHBondContact O-N 2.86Å; E100-H103 WeakPolarHBondContact O-CB 3.47Å; E100-H103 PolarHBondContact O-N 2.94Å
104	H	97.8	Very high	98	Very high	88 Å²	88	51.7 Å²	51.7	41%	0.407	26%	0.26	S	S	.	.	H	α-helix	trans	-85.6	-34.7	-176.9	-70.9	-71.3	0	0	0	113.9	Y72 E100	Y72-H104 HydrophobicContact CD2-CB 3.69Å; Y72-H104 AromaticContact CD2-CD2 3.96Å; Y72-H104 AromaticContact CD2-CG 3.9Å; Y72-H104 HydrophobicContact CE2-CB 4.42Å; Y72-H104 AromaticContact CE2-CD2 3.97Å; E100-H104 PolarHBondContact O-CD2 3.21Å; E100-H104 PolarHBondContact O-N 3.21Å
105	C	96.9	Very high	98	Very high	17 Å²	17	45.6 Å²	45.6	12%	0.115	23%	0.234	C	C	.	.			trans	-136.1	65.3	-172	-64.5	0	0	0	0	111.4	Y72 F78 I101 K107 T108	Y72-C105 PolarHBondContact O-SG 3.32Å; F78-C105 HydrophobicContact CE2-CB 3.66Å; F78-C105 HydrophobicContact CZ-CB 4.09Å; I101-C105 CarbonylContact O-C 3.56Å; I101-C105 VanDerWaalsContact O-CA 3.31Å; I101-C105 WeakPolarHBondContact O-CA 3.36Å; I101-C105 WeakPolarHBondContact O-CB 3.36Å; I101-C105 PolarHBondContact O-N 3.44Å; C105-K107 PolarHBondContact O-N 2.92Å; C105-T108 PolarHBondContact O-N 3.07Å; C105-T108 VanDerWaalsContact O-N 3.09Å
106	P	95.4	Very high	98	Very high	98 Å²	98	41 Å²	41	64%	0.636	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-12.8	-167.3	24.4	-36.1	0	0	0	115.9	T102	T102-P106 VanDerWaalsContact O-CA 3.26Å; T102-P106 WeakPolarHBondContact O-CA 3.44Å; T102-P106 WeakPolarHBondContact O-CB 3.33Å
107	K	94.1	Very high	98	Very high	175 Å²	175	39.9 Å²	39.9	76%	0.761	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.9	-6.5	-179.1	-62.9	-177	-177.8	177.3	0	113.2	C105	C105-K107 PolarHBondContact O-N 2.92Å
108	T	97.6	Very high	98	Very high	33 Å²	33	42.4 Å²	42.4	20%	0.202	22%	0.222	C	C	.	.			trans	-78.3	126.7	-175.9	-59.8	0	0	0	0	108.9	T75 F78 C105	T75-T108 HydrophobicContact CG2-CG2 3.96Å; T75-T108 WeakPolarHBondContact O-CG2 3.14Å; T75-T108 PolarHBondContact O-OG1 3.48Å; F78-T108 HydrophobicContact CD2-CG2 3.5Å; F78-T108 HydrophobicContact CE2-CG2 3.57Å; C105-T108 PolarHBondContact O-N 3.07Å; C105-T108 VanDerWaalsContact O-N 3.09Å
109	P	98.2	Very high	98	Very high	17 Å²	17	44.3 Å²	44.3	11%	0.11	23%	0.232	C	C	.	.			trans	-65.7	156.6	177.2	27.4	-34.3	0	0	0	111.2	D76 V77 F78 V152 A175 P179	D76-P109 WeakPolarHBondContact O-CD 3.14Å; D76-P109 WeakPolarHBondContact O-CG 3.13Å; V77-P109 WeakPolarHBondContact CA-O 3.26Å; F78-P109 PolarHBondContact N-O 3.37Å; P109-V152 HydrophobicContact CB-CG2 3.57Å; P109-A175 WeakPolarHBondContact CG-O 3.41Å; P109-P179 HydrophobicContact CG-CB 4.41Å
110	F	98.8	Very high	97.9	Very high	17 Å²	17	43.2 Å²	43.2	8%	0.075	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	151	174.4	72.4	-85.1	0	0	0	112	F78 V80 V98 I101 L149 A151 V152	F78-F110 HydrophobicContact CB-CB 3.74Å; F78-F110 CarbonylContact O-C 3.53Å; F78-F110 WeakPolarHBondContact O-CA 3.31Å; V80-F110 HydrophobicContact CB-CD2 4.37Å; V80-F110 HydrophobicContact CG2-CB 4.22Å; V80-F110 HydrophobicContact CG2-CD2 3.71Å; V80-F110 HydrophobicContact CG2-CE2 4.44Å; V80-F110 HydrophobicContact CG2-CG 4.23Å; V98-F110 HydrophobicContact CG1-CE1 4.39Å; V98-F110 HydrophobicContact CG1-CZ 4.04Å; V98-F110 HydrophobicContact CG2-CD2 4.48Å; V98-F110 HydrophobicContact CG2-CE2 3.73Å; V98-F110 HydrophobicContact CG2-CZ 3.88Å; I101-F110 HydrophobicContact CD1-CB 3.86Å; I101-F110 HydrophobicContact CD1-CD1 4.07Å; I101-F110 HydrophobicContact CD1-CD2 4.4Å; I101-F110 HydrophobicContact CD1-CG 3.87Å; F110-L149 HydrophobicContact CZ-CB 4.16Å; F110-L149 WeakPolarHBondContact CZ-O 3.11Å; F110-A151 HydrophobicContact CD2-CB 3.95Å; F110-A151 HydrophobicContact CE2-CB 3.46Å; F110-A151 VanDerWaalsContact CE2-CB 3.46Å; F110-A151 HydrophobicContact CZ-CB 3.88Å; F110-V152 PolarHBondContact O-N 3.23Å
111	L	98.8	Very high	97.8	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	145.1	166.4	-70.6	112.7	0	0	0	110.4	V77 F78 L79 V80 V113 K153 V155 E171 A172 A175	V77-L111 HydrophobicContact CG2-CD1 3.92Å; F78-L111 PolarHBondContact O-N 3.19Å; L79-L111 HydrophobicContact CD2-CB 3.94Å; L79-L111 HydrophobicContact CD2-CD1 3.84Å; L79-L111 HydrophobicContact CD2-CG 4.5Å; V80-L111 PolarHBondContact N-O 3.3Å; L111-V113 HydrophobicContact CB-CG2 4.26Å; L111-K153 HydrophobicContact CD2-CB 3.83Å; L111-V155 HydrophobicContact CD2-CG1 4.18Å; L111-V155 HydrophobicContact CD2-CG2 4.17Å; L111-E171 HydrophobicContact CD2-CB 3.65Å; L111-A172 HydrophobicContact CD1-CB 3.82Å; L111-A175 HydrophobicContact CD1-CB 4.19Å
112	L	98.9	Very high	97.8	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	125.5	163.9	-176.3	64.4	0	0	0	108.4	F82 V93 A142 L145 A146 A151 K153 Y154 V155	F82-L112 HydrophobicContact CD1-CD1 3.81Å; F82-L112 HydrophobicContact CD1-CG 4.25Å; F82-L112 HydrophobicContact CE1-CD1 3.96Å; F82-L112 HydrophobicContact CE1-CD2 4.16Å; F82-L112 HydrophobicContact CE1-CG 3.88Å; V93-L112 HydrophobicContact CB-CD1 4.43Å; V93-L112 HydrophobicContact CG1-CD1 3.59Å; V93-L112 HydrophobicContact CG2-CD1 3.99Å; L112-A142 WeakPolarHBondContact CD2-O 3.47Å; L112-L145 HydrophobicContact CD2-CB 4.38Å; L112-L145 HydrophobicContact CD2-CD2 4.37Å; L112-L145 HydrophobicContact CD2-CG 4.49Å; L112-A146 HydrophobicContact CB-CB 4.13Å; L112-A146 HydrophobicContact CD2-CB 3.87Å; L112-A151 HydrophobicContact CB-CB 4.23Å; L112-K153 PolarHBondContact N-O 2.57Å; L112-Y154 HydrophobicContact CB-CD2 4.07Å; L112-Y154 HydrophobicContact CD2-CD2 3.92Å; L112-Y154 HydrophobicContact CD2-CE2 4.42Å; L112-Y154 HydrophobicContact CG-CD2 3.85Å; L112-Y154 HydrophobicContact CG-CE2 4.33Å; L112-Y154 WeakPolarHBondContact O-CA 3.48Å; L112-Y154 WeakPolarHBondContact O-CD2 3.18Å; L112-V155 PolarHBondContact O-N 3.33Å
113	V	98.9	Very high	97.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	113.1	-174.8	-172.9	0	0	0	0	110.6	L79 V80 C81 F82 L111 T115 V155 V168	L79-V113 HydrophobicContact CB-CG2 4.06Å; L79-V113 HydrophobicContact CD2-CG2 3.91Å; L79-V113 HydrophobicContact CG-CG2 4.43Å; V80-V113 PolarHBondContact O-N 2.91Å; C81-V113 WeakPolarHBondContact CA-O 3.41Å; F82-V113 WeakPolarHBondContact CD1-O 3.17Å; F82-V113 PolarHBondContact N-O 3.06Å; L111-V113 HydrophobicContact CB-CG2 4.26Å; V113-T115 HydrophobicContact CG1-CG2 4.16Å; V113-V155 CarbonylContact C-O 3.45Å; V113-V155 WeakPolarHBondContact CA-O 3.23Å; V113-V155 HydrophobicContact CB-CG2 4.4Å; V113-V155 HydrophobicContact CG1-CG2 4.34Å; V113-V155 HydrophobicContact CG2-CG2 3.87Å; V113-V168 HydrophobicContact CG1-CG1 4.19Å; V113-V168 HydrophobicContact CG1-CG2 4.08Å; V113-V168 HydrophobicContact CG2-CG1 4.12Å
114	G	98.9	Very high	97.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	114.5	169.9	0	0	0	0	0	110.6	V155 E156 C157	G114-V155 PolarHBondContact N-O 3.24Å; G114-E156 CarbonylContact O-C 3.46Å; G114-E156 VanDerWaalsContact O-CA 3.31Å; G114-E156 WeakPolarHBondContact O-CA 3.4Å; G114-C157 PolarHBondContact O-N 3.13Å
115	T	98.8	Very high	97.7	Very high	4 Å²	4	44.6 Å²	44.6	3%	0.025	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	168.6	-178.9	65.9	0	0	0	0	111.6	V14 C81 F82 S83 V84 V113 I117 C157	V14-T115 VanDerWaalsContact O-CB 3.32Å; V14-T115 WeakPolarHBondContact O-CB 3.44Å; V14-T115 PolarHBondContact O-OG1 3.16Å; C81-T115 HydrophobicContact CB-CG2 4.18Å; F82-T115 PolarHBondContact O-N 2.87Å; F82-T115 PolarHBondContact O-OG1 2.65Å; S83-T115 WeakPolarHBondContact CA-OG1 3.31Å; V84-T115 PolarHBondContact N-O 3.15Å; V113-T115 HydrophobicContact CG1-CG2 4.16Å; T115-I117 VanDerWaalsContact C-N 3.31Å; T115-I117 PolarHBondContact O-N 3.36Å; T115-C157 CarbonylContact C-O 3.37Å; T115-C157 WeakPolarHBondContact CA-O 3.39Å
116	Q	98.4	Very high	97.7	Very high	47 Å²	47	46.5 Å²	46.5	22%	0.22	26%	0.255	C	S	.	.			trans	61.8	35.2	174.1	-53.9	173.4	2.4	0	0	113.3	A13 V14 S83 D118 L119 C157	A13-Q116 PolarHBondContact O-NE2 3.2Å; V14-Q116 VanDerWaalsContact C-NE2 3.34Å; V14-Q116 PolarHBondContact O-NE2 3.41Å; S83-Q116 PolarHBondContact OG-OE1 3.12Å; Q116-D118 PolarHBondContact O-N 3.48Å; Q116-D118 VanDerWaalsContact O-N 3.15Å; Q116-L119 HydrophobicContact CB-CD1 4.09Å; Q116-L119 HydrophobicContact CB-CG 4.39Å; Q116-L119 WeakPolarHBondContact O-CB 3.32Å; Q116-L119 PolarHBondContact O-N 2.99Å; Q116-C157 PolarHBondContact N-O 3.36Å; Q116-C157 VanDerWaalsContact N-O 3.12Å
117	I	98.6	Very high	97.8	Very high	16 Å²	16	47 Å²	47	8%	0.082	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-64.3	-18.5	-178.9	67.7	179.2	0	0	0	114.1	V84 T115 L119 R120 E156 C157 R163	V84-I117 HydrophobicContact CG1-CG2 4.01Å; V84-I117 HydrophobicContact CG2-CB 4.48Å; V84-I117 HydrophobicContact CG2-CG2 4.13Å; T115-I117 VanDerWaalsContact C-N 3.31Å; T115-I117 PolarHBondContact O-N 3.36Å; I117-L119 PolarHBondContact O-N 2.89Å; I117-R120 WeakPolarHBondContact O-CB 3.07Å; I117-R120 PolarHBondContact O-N 2.67Å; I117-E156 HydrophobicContact CD1-CB 4.36Å; I117-E156 HydrophobicContact CG2-CB 3.89Å; I117-E156 HydrophobicContact CG2-CG 4.17Å; I117-C157 PolarHBondContact N-O 3.5Å; I117-R163 HydrophobicContact CD1-CG 4.16Å
118	D	98	Very high	98	Very high	52 Å²	52	45 Å²	45	28%	0.278	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-62.1	-24.6	170.8	52.3	-74.1	0	0	0	112.8	Q116 S158 T161	Q116-D118 PolarHBondContact O-N 3.48Å; Q116-D118 VanDerWaalsContact O-N 3.15Å; D118-S158 VanDerWaalsContact CG-OG 3.22Å; D118-S158 WeakPolarHBondContact OD1-CB 3.41Å; D118-S158 PolarHBondContact OD1-OG 2.55Å; D118-T161 HydrophobicContact CB-CG2 4.11Å
119	L	98.1	Very high	98	Very high	52 Å²	52	44 Å²	44	27%	0.272	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-88.3	-9	179	-58.2	-178.3	0	0	0	113.5	V85 Q116 I117 D121 D122 T125	V85-L119 HydrophobicContact CB-CB 4.4Å; V85-L119 HydrophobicContact CG1-CB 3.7Å; V85-L119 WeakPolarHBondContact CG1-O 3.24Å; V85-L119 HydrophobicContact CG2-CB 3.9Å; V85-L119 HydrophobicContact CG2-CD1 3.85Å; Q116-L119 HydrophobicContact CB-CD1 4.09Å; Q116-L119 HydrophobicContact CB-CG 4.39Å; Q116-L119 WeakPolarHBondContact O-CB 3.32Å; Q116-L119 PolarHBondContact O-N 2.99Å; I117-L119 PolarHBondContact O-N 2.89Å; L119-D121 VanDerWaalsContact C-N 3.28Å; L119-D121 PolarHBondContact O-N 3.01Å; L119-D122 HydrophobicContact CD2-CB 4.43Å; L119-D122 PolarHBondContact O-N 3.25Å; L119-T125 HydrophobicContact CB-CG2 4.29Å
120	R	98	Very high	97.9	Very high	40 Å²	40	46.1 Å²	46.1	15%	0.151	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-40.1	-175.1	179.7	177.9	-72.2	141.3	-6.5	112.4	V84 I117 V126 P136 I137 E156	V84-R120 HydrophobicContact CG2-CB 4.21Å; I117-R120 WeakPolarHBondContact O-CB 3.07Å; I117-R120 PolarHBondContact O-N 2.67Å; R120-V126 WeakPolarHBondContact O-CG2 3.44Å; R120-P136 HydrophobicContact CG-CB 3.93Å; R120-P136 WeakPolarHBondContact O-CG 3.45Å; R120-I137 PolarHBondContact NE-O 3.05Å; R120-I137 PolarHBondContact NH2-O 2.85Å; R120-E156 IonicContact CZ-OE1 2.65Å; R120-E156 IonicContact CZ-OE2 3.65Å; R120-E156 IonicContact NH1-OE1 3.05Å; R120-E156 IonicContact NH1-OE2 2.69Å; R120-E156 PolarHBondContact NH1-OE2 2.94Å; R120-E156 IonicContact NH2-OE1 3.65Å; R120-E156 PolarHBondContact NH2-OE1 3.03Å; R120-E156 IonicContact NH2-OE2 3.58Å; R120-E156 PolarHBondContact NH2-OE2 3.01Å
121	D	95.6	Very high	97.8	Very high	138 Å²	138	52 Å²	52	74%	0.738	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	7.3	-179.1	-57	-47	0	0	0	112.2	L119 P123	L119-D121 VanDerWaalsContact C-N 3.28Å; L119-D121 PolarHBondContact O-N 3.01Å; D121-P123 WeakPolarHBondContact O-CD 3.39Å
122	D	97.7	Very high	97.7	Very high	49 Å²	49	57.6 Å²	57.6	26%	0.262	31%	0.308	S	S	.	.			trans	-67.2	119.2	176.7	171.2	60.8	0	0	0	110.1	L119 S124 T125 V126	L119-D122 HydrophobicContact CD2-CB 4.43Å; L119-D122 PolarHBondContact O-N 3.25Å; D122-S124 PolarHBondContact O-N 2.86Å; D122-S124 WeakPolarHBondContact OD2-CB 3.4Å; D122-S124 PolarHBondContact OD2-N 2.86Å; D122-S124 PolarHBondContact OD2-OG 2.83Å; D122-T125 PolarHBondContact O-N 3.05Å; D122-T125 VanDerWaalsContact O-N 3.1Å; D122-T125 WeakPolarHBondContact OD2-CB 3.31Å; D122-T125 PolarHBondContact OD2-N 3.02Å; D122-T125 PolarHBondContact OD2-OG1 3.38Å; D122-V126 WeakPolarHBondContact O-CG2 3.37Å; D122-V126 PolarHBondContact O-N 3.01Å
123	P	97.6	Very high	97.6	Very high	102 Å²	102	67.3 Å²	67.3	66%	0.662	35%	0.35	S	S	*	.	H	α-helix	trans	-56.6	-39	-174.9	-27.3	35.3	0	0	0	113.2	D121 T125 E127	D121-P123 WeakPolarHBondContact O-CD 3.39Å; P123-T125 PolarHBondContact O-N 2.78Å; P123-E127 WeakPolarHBondContact O-CB 3.35Å; P123-E127 PolarHBondContact O-N 2.89Å
124	S	97.4	Very high	97.6	Very high	56 Å²	56	70.7 Å²	70.7	39%	0.392	37%	0.366	S	S	.	.	H	α-helix	trans	-67.8	-38.1	-178	88.8	0	0	0	0	111.9	D122 K128	D122-S124 PolarHBondContact O-N 2.86Å; D122-S124 WeakPolarHBondContact OD2-CB 3.4Å; D122-S124 PolarHBondContact OD2-N 2.86Å; D122-S124 PolarHBondContact OD2-OG 2.83Å; S124-K128 WeakPolarHBondContact O-CD 3.41Å; S124-K128 VanDerWaalsContact O-CG 3.23Å; S124-K128 WeakPolarHBondContact O-CG 3.46Å; S124-K128 PolarHBondContact O-N 2.98Å; S124-K128 VanDerWaalsContact O-N 3.12Å
125	T	96.9	Very high	97.5	Very high	21 Å²	21	79 Å²	79	13%	0.129	40%	0.402	C	S	.	.	H	α-helix	trans	-72.7	-44.5	179.1	-59.3	0	0	0	0	110.9	V85 L119 D122 P123 E127 K128 L129	V85-T125 HydrophobicContact CB-CG2 3.64Å; V85-T125 HydrophobicContact CG1-CG2 3.67Å; V85-T125 HydrophobicContact CG2-CG2 4.06Å; L119-T125 HydrophobicContact CB-CG2 4.29Å; D122-T125 PolarHBondContact O-N 3.05Å; D122-T125 VanDerWaalsContact O-N 3.1Å; D122-T125 WeakPolarHBondContact OD2-CB 3.31Å; D122-T125 PolarHBondContact OD2-N 3.02Å; D122-T125 PolarHBondContact OD2-OG1 3.38Å; P123-T125 PolarHBondContact O-N 2.78Å; T125-E127 VanDerWaalsContact C-N 3.34Å; T125-E127 PolarHBondContact O-N 2.69Å; T125-K128 PolarHBondContact O-N 3.49Å; T125-L129 HydrophobicContact CG2-CD1 4.31Å; T125-L129 PolarHBondContact O-N 2.92Å
126	V	97.1	Very high	97.5	Very high	58 Å²	58	80 Å²	80	35%	0.352	41%	0.408	S	S	.	.	H	α-helix	trans	-60.5	-43.8	175.8	174.4	0	0	0	0	111	R120 D122 L129 A130 P136	R120-V126 WeakPolarHBondContact O-CG2 3.44Å; D122-V126 WeakPolarHBondContact O-CG2 3.37Å; D122-V126 PolarHBondContact O-N 3.01Å; V126-L129 PolarHBondContact O-N 2.69Å; V126-A130 WeakPolarHBondContact O-CB 3.46Å; V126-A130 PolarHBondContact O-N 3.4Å; V126-P136 HydrophobicContact CG2-CG 4.2Å
127	E	97.8	Very high	97.5	Very high	109 Å²	109	78.6 Å²	78.6	51%	0.509	40%	0.402	S	S	.	.	H	α-helix	trans	-63.2	-42.9	177.3	-165.9	-161.7	145.1	0	0	111.9	P123 T125 A130 K131	P123-E127 WeakPolarHBondContact O-CB 3.35Å; P123-E127 PolarHBondContact O-N 2.89Å; T125-E127 VanDerWaalsContact C-N 3.34Å; T125-E127 PolarHBondContact O-N 2.69Å; E127-A130 PolarHBondContact O-N 2.87Å; E127-K131 WeakPolarHBondContact O-CG 3.45Å; E127-K131 PolarHBondContact O-N 3.41Å; E127-K131 VanDerWaalsContact O-N 3.07Å; E127-K131 WeakPolarHBondContact OE1-CE 3.46Å; E127-K131 IonicContact OE1-NZ 3.19Å; E127-K131 PolarHBondContact OE1-NZ 3.15Å
128	K	97.2	Very high	97.5	Very high	132 Å²	132	80.6 Å²	80.6	57%	0.574	42%	0.415	S	S	*	.	H	α-helix	trans	-60.9	-44.6	176.3	-75.9	167.8	-174.7	168.2	0	112	S124 T125 K131	S124-K128 WeakPolarHBondContact O-CD 3.41Å; S124-K128 VanDerWaalsContact O-CG 3.23Å; S124-K128 WeakPolarHBondContact O-CG 3.46Å; S124-K128 PolarHBondContact O-N 2.98Å; S124-K128 VanDerWaalsContact O-N 3.12Å; T125-K128 PolarHBondContact O-N 3.49Å; K128-K131 WeakPolarHBondContact O-CB 3.38Å; K128-K131 PolarHBondContact O-N 3.03Å
129	L	97.3	Very high	97.5	Very high	13 Å²	13	80 Å²	80	7%	0.068	41%	0.414	C	S	.	.	H	α-helix	trans	-64.5	-42.2	176.4	-74.2	169.8	0	0	0	111.4	V85 P87 T125 V126 K131 N132 K133 Q134 P136	V85-L129 HydrophobicContact CB-CD1 4.14Å; P87-L129 HydrophobicContact CG-CD2 4.3Å; T125-L129 HydrophobicContact CG2-CD1 4.31Å; T125-L129 PolarHBondContact O-N 2.92Å; V126-L129 PolarHBondContact O-N 2.69Å; L129-K131 VanDerWaalsContact C-N 3.28Å; L129-K131 PolarHBondContact O-N 3.08Å; L129-N132 CarbonylContact O-C 3.52Å; L129-N132 WeakPolarHBondContact O-CA 3.21Å; L129-N132 PolarHBondContact O-N 3.25Å; L129-K133 PolarHBondContact O-N 3.05Å; L129-Q134 CarbonylContact C-O 3.43Å; L129-Q134 VanDerWaalsContact C-O 3.29Å; L129-Q134 HydrophobicContact CB-CB 4.19Å; L129-Q134 HydrophobicContact CD2-CB 3.94Å; L129-Q134 PolarHBondContact O-N 3.39Å; L129-P136 HydrophobicContact CD1-CG 3.83Å
130	A	97.3	Very high	97.6	Very high	60 Å²	60	83.3 Å²	83.3	50%	0.496	43%	0.428	S	S	.	.	H	α-helix	trans	-61.1	-35.1	178.8	0	0	0	0	0	112.7	V126 E127 N132 K133 Q134	V126-A130 WeakPolarHBondContact O-CB 3.46Å; V126-A130 PolarHBondContact O-N 3.4Å; E127-A130 PolarHBondContact O-N 2.87Å; A130-N132 PolarHBondContact O-N 3.33Å; A130-K133 PolarHBondContact O-N 2.63Å; A130-Q134 PolarHBondContact N-O 2.98Å
131	K	97.3	Very high	97.6	Very high	142 Å²	142	84.6 Å²	84.6	62%	0.617	44%	0.441	S	S	*	.	H	α-helix	trans	-57.9	-31.6	173.1	-73.7	170.4	-176.5	164.7	0	112.5	E127 K128 L129	E127-K131 WeakPolarHBondContact O-CG 3.45Å; E127-K131 PolarHBondContact O-N 3.41Å; E127-K131 VanDerWaalsContact O-N 3.07Å; E127-K131 WeakPolarHBondContact OE1-CE 3.46Å; E127-K131 IonicContact OE1-NZ 3.19Å; E127-K131 PolarHBondContact OE1-NZ 3.15Å; K128-K131 WeakPolarHBondContact O-CB 3.38Å; K128-K131 PolarHBondContact O-N 3.03Å; L129-K131 VanDerWaalsContact C-N 3.28Å; L129-K131 PolarHBondContact O-N 3.08Å
132	N	96	Very high	97.7	Very high	118 Å²	118	78 Å²	78	63%	0.631	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	14.1	175.9	-63.6	-25.5	0	0	0	113.1	L129 A130 Q134	L129-N132 CarbonylContact O-C 3.52Å; L129-N132 WeakPolarHBondContact O-CA 3.21Å; L129-N132 PolarHBondContact O-N 3.25Å; A130-N132 PolarHBondContact O-N 3.33Å; N132-Q134 HydrophobicContact CB-CG 4.48Å; N132-Q134 PolarHBondContact O-N 2.7Å
133	K	97.3	Very high	97.8	Very high	205 Å²	205	79.9 Å²	79.9	89%	0.891	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	26.4	-175.2	-54.2	178.4	-178.3	176.8	0	113.7	L129 A130	L129-K133 PolarHBondContact O-N 3.05Å; A130-K133 PolarHBondContact O-N 2.63Å
134	Q	97.7	Very high	97.8	Very high	71 Å²	71	80.9 Å²	80.9	33%	0.332	41%	0.406	S	S	.	.			trans	-105.1	164.1	178.8	-75.3	177.7	-30.6	0	0	110.8	P87 L129 A130 N132	P87-Q134 HydrophobicContact CG-CB 4.11Å; P87-Q134 HydrophobicContact CG-CG 4.23Å; L129-Q134 CarbonylContact C-O 3.43Å; L129-Q134 VanDerWaalsContact C-O 3.29Å; L129-Q134 HydrophobicContact CB-CB 4.19Å; L129-Q134 HydrophobicContact CD2-CB 3.94Å; L129-Q134 PolarHBondContact O-N 3.39Å; A130-Q134 PolarHBondContact N-O 2.98Å; N132-Q134 HydrophobicContact CB-CG 4.48Å; N132-Q134 PolarHBondContact O-N 2.7Å
135	K	97.9	Very high	97.9	Very high	175 Å²	175	79 Å²	79	76%	0.761	39%	0.392	S	S	*	.			trans	-136.3	155.3	173.7	-65.6	-176.3	-178.4	-178.6	0	109.3
136	P	98.5	Very high	98	Very high	24 Å²	24	78.3 Å²	78.3	16%	0.156	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-54.9	146.9	168	-23.6	33.4	0	0	0	111.6	V84 V85 R120 V126 L129 T138	V84-P136 CarbonylContact O-C 3.29Å; V84-P136 VanDerWaalsContact O-CA 3.24Å; V84-P136 WeakPolarHBondContact O-CA 3.28Å; V85-P136 HydrophobicContact CG1-CB 4.35Å; V85-P136 HydrophobicContact CG1-CG 4.47Å; R120-P136 HydrophobicContact CG-CB 3.93Å; R120-P136 WeakPolarHBondContact O-CG 3.45Å; V126-P136 HydrophobicContact CG2-CG 4.2Å; L129-P136 HydrophobicContact CD1-CG 3.83Å; P136-T138 PolarHBondContact O-N 2.83Å
137	I	98.7	Very high	98	Very high	17 Å²	17	82.9 Å²	82.9	9%	0.087	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-71	126.1	175.9	-54.4	-55.7	0	0	0	109.1	F82 V84 P87 F90 R120 T141 A142	F82-I137 HydrophobicContact CE2-CB 4.04Å; F82-I137 HydrophobicContact CE2-CG1 4.17Å; F82-I137 HydrophobicContact CE2-CG2 3.91Å; F82-I137 HydrophobicContact CZ-CG2 4.27Å; V84-I137 HydrophobicContact CB-CB 4.48Å; V84-I137 PolarHBondContact O-N 3.35Å; P87-I137 HydrophobicContact CB-CD1 4.23Å; P87-I137 HydrophobicContact CG-CD1 4.41Å; F90-I137 HydrophobicContact CB-CD1 4.11Å; F90-I137 HydrophobicContact CB-CG1 3.98Å; F90-I137 HydrophobicContact CD1-CD1 3.92Å; F90-I137 HydrophobicContact CD1-CG1 4.4Å; F90-I137 HydrophobicContact CD1-CG2 4.47Å; F90-I137 HydrophobicContact CD2-CG1 4.47Å; F90-I137 HydrophobicContact CD2-CG2 4.02Å; F90-I137 HydrophobicContact CE1-CG2 4.44Å; F90-I137 HydrophobicContact CE2-CG2 3.97Å; F90-I137 HydrophobicContact CG-CD1 4.05Å; F90-I137 HydrophobicContact CG-CG1 4.04Å; F90-I137 HydrophobicContact CG-CG2 4.25Å; F90-I137 HydrophobicContact CZ-CG2 4.18Å; R120-I137 PolarHBondContact NE-O 3.05Å; R120-I137 PolarHBondContact NH2-O 2.85Å; I137-T141 HydrophobicContact CG2-CG2 4.49Å; I137-A142 HydrophobicContact CG2-CB 4.1Å
138	T	98.5	Very high	98	Very high	59 Å²	59	82.8 Å²	82.8	36%	0.362	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-82.6	153.4	176.4	76.3	0	0	0	0	111.2	P136 E140 T141 A142	P136-T138 PolarHBondContact O-N 2.83Å; T138-E140 VanDerWaalsContact C-N 3.25Å; T138-E140 WeakPolarHBondContact CB-OE2 3.37Å; T138-E140 PolarHBondContact O-N 3.24Å; T138-E140 PolarHBondContact OG1-OE2 2.76Å; T138-T141 PolarHBondContact O-N 3.31Å; T138-T141 PolarHBondContact OG1-N 3.38Å; T138-T141 PolarHBondContact OG1-OG1 2.88Å; T138-A142 PolarHBondContact O-N 2.97Å; T138-A142 VanDerWaalsContact O-N 3.16Å
139	P	98.5	Very high	98.1	Very high	38 Å²	38	78 Å²	78	25%	0.247	38%	0.382	C	S	.	.	H	α-helix	trans	-53.3	-42.5	175.1	-26.1	35	0	0	0	112.7	T141 A142 E143	P139-T141 VanDerWaalsContact C-N 3.31Å; P139-T141 PolarHBondContact O-N 3.19Å; P139-A142 PolarHBondContact O-N 2.96Å; P139-E143 WeakPolarHBondContact O-CB 3.32Å; P139-E143 WeakPolarHBondContact O-CG 3.45Å; P139-E143 PolarHBondContact O-N 2.96Å
140	E	98.6	Very high	98.1	Very high	123 Å²	123	86 Å²	86	58%	0.575	42%	0.417	S	S	*	.	H	α-helix	trans	-64.3	-37.1	-177.1	-55.4	73.2	-157.7	0	0	112	T138 K144	T138-E140 VanDerWaalsContact C-N 3.25Å; T138-E140 WeakPolarHBondContact CB-OE2 3.37Å; T138-E140 PolarHBondContact O-N 3.24Å; T138-E140 PolarHBondContact OG1-OE2 2.76Å; E140-K144 WeakPolarHBondContact O-CB 3.21Å; E140-K144 PolarHBondContact O-N 3.47Å; E140-K144 VanDerWaalsContact O-N 3.09Å
141	T	98.4	Very high	98.1	Very high	67 Å²	67	83.9 Å²	83.9	41%	0.411	40%	0.399	S	S	.	.	H	α-helix	trans	-66.8	-44.4	177.2	-57.1	0	0	0	0	110.3	F90 I137 T138 P139 K144 L145	F90-T141 HydrophobicContact CE1-CG2 3.82Å; F90-T141 HydrophobicContact CZ-CG2 3.92Å; I137-T141 HydrophobicContact CG2-CG2 4.49Å; T138-T141 PolarHBondContact O-N 3.31Å; T138-T141 PolarHBondContact OG1-N 3.38Å; T138-T141 PolarHBondContact OG1-OG1 2.88Å; P139-T141 VanDerWaalsContact C-N 3.31Å; P139-T141 PolarHBondContact O-N 3.19Å; T141-K144 PolarHBondContact O-N 3.33Å; T141-L145 PolarHBondContact O-N 3.15Å; T141-L145 VanDerWaalsContact O-N 3.12Å
142	A	98.6	Very high	98.1	Very high	0 Å²	0	79.9 Å²	79.9	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-72	-38.4	-179.1	0	0	0	0	0	113	F82 F90 L112 I137 T138 P139 K144 L145 A146 Y154	F82-A142 HydrophobicContact CE1-CB 4.36Å; F82-A142 HydrophobicContact CZ-CB 3.78Å; F90-A142 HydrophobicContact CE2-CB 3.82Å; F90-A142 HydrophobicContact CZ-CB 4.36Å; L112-A142 WeakPolarHBondContact CD2-O 3.47Å; I137-A142 HydrophobicContact CG2-CB 4.1Å; T138-A142 PolarHBondContact O-N 2.97Å; T138-A142 VanDerWaalsContact O-N 3.16Å; P139-A142 PolarHBondContact O-N 2.96Å; A142-K144 VanDerWaalsContact C-N 3.3Å; A142-K144 PolarHBondContact O-N 3.3Å; A142-L145 PolarHBondContact O-N 3.06Å; A142-A146 PolarHBondContact O-N 3.48Å; A142-Y154 HydrophobicContact CB-CD1 4.18Å; A142-Y154 HydrophobicContact CB-CD2 4.04Å; A142-Y154 HydrophobicContact CB-CE1 3.62Å; A142-Y154 HydrophobicContact CB-CE2 3.49Å; A142-Y154 VanDerWaalsContact CB-CE2 3.49Å; A142-Y154 HydrophobicContact CB-CG 4.35Å; A142-Y154 WeakPolarHBondContact CB-OH 3.46Å
143	E	98.7	Very high	98.3	Very high	87 Å²	87	78.4 Å²	78.4	41%	0.407	37%	0.374	S	S	.	.	H	α-helix	trans	-60.6	-39.9	171.7	-76.1	-176.9	-173.9	0	0	112.3	P139 A146 R147 Y154	P139-E143 WeakPolarHBondContact O-CB 3.32Å; P139-E143 WeakPolarHBondContact O-CG 3.45Å; P139-E143 PolarHBondContact O-N 2.96Å; E143-A146 PolarHBondContact O-N 3.42Å; E143-R147 WeakPolarHBondContact O-CG 3.33Å; E143-R147 PolarHBondContact O-N 3.32Å; E143-R147 IonicContact OE2-NH1 2.74Å; E143-Y154 HydrophobicContact CG-CD1 3.61Å; E143-Y154 HydrophobicContact CG-CE1 4.41Å; E143-Y154 HydrophobicContact CG-CG 4.34Å
144	K	98.7	Very high	98.3	Very high	123 Å²	123	70 Å²	70	54%	0.535	34%	0.337	S	S	.	.	H	α-helix	trans	-60.9	-47	174.5	-175.7	-176.4	174.9	-173.6	0	110.6	E140 T141 A142 A146 R147 D148	E140-K144 WeakPolarHBondContact O-CB 3.21Å; E140-K144 PolarHBondContact O-N 3.47Å; E140-K144 VanDerWaalsContact O-N 3.09Å; T141-K144 PolarHBondContact O-N 3.33Å; A142-K144 VanDerWaalsContact C-N 3.3Å; A142-K144 PolarHBondContact O-N 3.3Å; K144-A146 PolarHBondContact O-N 3.04Å; K144-R147 PolarHBondContact O-N 3.26Å; K144-D148 VanDerWaalsContact O-CG 3.28Å; K144-D148 PolarHBondContact O-N 3.38Å
145	L	98.6	Very high	98.4	Very high	18 Å²	18	66.8 Å²	66.8	9%	0.094	32%	0.323	C	S	.	.	H	α-helix	trans	-61.7	-42.8	177.1	-174.7	66.2	0	0	0	111.9	F90 V93 K94 L112 T141 A142 R147 D148 L149	F90-L145 HydrophobicContact CD1-CD2 4.44Å; F90-L145 HydrophobicContact CD2-CD2 3.91Å; F90-L145 HydrophobicContact CE1-CD2 3.96Å; F90-L145 HydrophobicContact CE2-CB 4.04Å; F90-L145 HydrophobicContact CE2-CD2 3.37Å; F90-L145 HydrophobicContact CE2-CG 4.32Å; F90-L145 HydrophobicContact CG-CD2 4.43Å; F90-L145 HydrophobicContact CZ-CB 3.62Å; F90-L145 HydrophobicContact CZ-CD2 3.41Å; F90-L145 VanDerWaalsContact CZ-CD2 3.41Å; F90-L145 HydrophobicContact CZ-CG 4.1Å; V93-L145 HydrophobicContact CB-CD2 4.16Å; V93-L145 HydrophobicContact CG1-CD2 4.11Å; K94-L145 HydrophobicContact CB-CD1 4.37Å; K94-L145 HydrophobicContact CD-CD1 4.43Å; L112-L145 HydrophobicContact CD2-CB 4.38Å; L112-L145 HydrophobicContact CD2-CD2 4.37Å; L112-L145 HydrophobicContact CD2-CG 4.49Å; T141-L145 PolarHBondContact O-N 3.15Å; T141-L145 VanDerWaalsContact O-N 3.12Å; A142-L145 PolarHBondContact O-N 3.06Å; L145-R147 VanDerWaalsContact C-N 3.3Å; L145-R147 PolarHBondContact O-N 3.47Å; L145-D148 PolarHBondContact O-N 3.03Å; L145-L149 HydrophobicContact CD1-CD1 3.75Å; L145-L149 HydrophobicContact CD1-CG 3.92Å; L145-L149 HydrophobicContact CD2-CD1 4.14Å; L145-L149 HydrophobicContact CG-CD1 3.67Å; L145-L149 HydrophobicContact CG-CG 4.15Å; L145-L149 WeakPolarHBondContact O-CB 3.45Å; L145-L149 VanDerWaalsContact O-CG 3.32Å; L145-L149 WeakPolarHBondContact O-CG 3.08Å; L145-L149 PolarHBondContact O-N 2.72Å
146	A	98.6	Very high	98.4	Very high	6 Å²	6	60.3 Å²	60.3	5%	0.05	30%	0.295	C	S	.	.	H	α-helix	trans	-57.4	-43.3	176.6	0	0	0	0	0	112	L112 A142 E143 K144 K150 A151	L112-A146 HydrophobicContact CB-CB 4.13Å; L112-A146 HydrophobicContact CD2-CB 3.87Å; A142-A146 PolarHBondContact O-N 3.48Å; E143-A146 PolarHBondContact O-N 3.42Å; K144-A146 PolarHBondContact O-N 3.04Å; A146-K150 PolarHBondContact O-N 3.11Å; A146-A151 HydrophobicContact CB-CB 4.04Å; A146-A151 PolarHBondContact O-N 2.96Å
147	R	98.3	Very high	98.4	Very high	154 Å²	154	59.2 Å²	59.2	58%	0.581	29%	0.288	S	S	*	.	H	α-helix	trans	-64.1	-47.1	174.5	-71.8	-173.3	-66.4	-92.5	1.1	112	E143 K144 L145 L149 K150	E143-R147 WeakPolarHBondContact O-CG 3.33Å; E143-R147 PolarHBondContact O-N 3.32Å; E143-R147 IonicContact OE2-NH1 2.74Å; K144-R147 PolarHBondContact O-N 3.26Å; L145-R147 VanDerWaalsContact C-N 3.3Å; L145-R147 PolarHBondContact O-N 3.47Å; R147-L149 VanDerWaalsContact C-N 3.26Å; R147-L149 PolarHBondContact O-N 2.91Å; R147-K150 PolarHBondContact O-N 3.45Å; R147-K150 VanDerWaalsContact O-N 3.11Å
148	D	98.2	Very high	98.4	Very high	106 Å²	106	58.4 Å²	58.4	57%	0.567	28%	0.284	S	S	*	.	H	α-helix	trans	-61.2	-36.8	-179.2	-69.7	-12.9	0	0	0	111.8	K144 L145	K144-D148 VanDerWaalsContact O-CG 3.28Å; K144-D148 PolarHBondContact O-N 3.38Å; L145-D148 PolarHBondContact O-N 3.03Å
149	L	97.9	Very high	98.3	Very high	31 Å²	31	56.1 Å²	56.1	16%	0.162	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-2.9	178.8	-60.8	-179.6	0	0	0	113.8	V93 K94 V98 F110 L145 R147 A151	V93-L149 HydrophobicContact CG1-CD1 3.6Å; K94-L149 HydrophobicContact CB-CD1 4.36Å; K94-L149 HydrophobicContact CB-CD2 4.3Å; K94-L149 HydrophobicContact CG-CD2 4.07Å; V98-L149 HydrophobicContact CB-CD1 4.45Å; V98-L149 HydrophobicContact CG2-CD1 3.9Å; F110-L149 HydrophobicContact CZ-CB 4.16Å; F110-L149 WeakPolarHBondContact CZ-O 3.11Å; L145-L149 HydrophobicContact CD1-CD1 3.75Å; L145-L149 HydrophobicContact CD1-CG 3.92Å; L145-L149 HydrophobicContact CD2-CD1 4.14Å; L145-L149 HydrophobicContact CG-CD1 3.67Å; L145-L149 HydrophobicContact CG-CG 4.15Å; L145-L149 WeakPolarHBondContact O-CB 3.45Å; L145-L149 VanDerWaalsContact O-CG 3.32Å; L145-L149 WeakPolarHBondContact O-CG 3.08Å; L145-L149 PolarHBondContact O-N 2.72Å; R147-L149 VanDerWaalsContact C-N 3.26Å; R147-L149 PolarHBondContact O-N 2.91Å; L149-A151 VanDerWaalsContact C-N 3.25Å; L149-A151 PolarHBondContact O-N 3.24Å
150	K	97.3	Very high	98.2	Very high	182 Å²	182	58.8 Å²	58.8	79%	0.791	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	35.7	-176.9	-50.6	175.4	-177.4	175.5	0	113.2	A146 R147	A146-K150 PolarHBondContact O-N 3.11Å; R147-K150 PolarHBondContact O-N 3.45Å; R147-K150 VanDerWaalsContact O-N 3.11Å
151	A	98.2	Very high	98.1	Very high	15 Å²	15	57 Å²	57	12%	0.124	28%	0.28	C	S	.	.			trans	-60	148.6	165.7	0	0	0	0	0	109.3	F110 L112 A146 L149 K153	F110-A151 HydrophobicContact CD2-CB 3.95Å; F110-A151 HydrophobicContact CE2-CB 3.46Å; F110-A151 VanDerWaalsContact CE2-CB 3.46Å; F110-A151 HydrophobicContact CZ-CB 3.88Å; L112-A151 HydrophobicContact CB-CB 4.23Å; A146-A151 HydrophobicContact CB-CB 4.04Å; A146-A151 PolarHBondContact O-N 2.96Å; L149-A151 VanDerWaalsContact C-N 3.25Å; L149-A151 PolarHBondContact O-N 3.24Å; A151-K153 VanDerWaalsContact C-N 3.27Å; A151-K153 PolarHBondContact O-N 3.05Å
152	V	97.9	Very high	97.9	Very high	58 Å²	58	57.8 Å²	57.8	35%	0.352	28%	0.279	S	S	.	.	S	Bend	trans	-60.5	-43.6	176.1	179.2	0	0	0	0	110.2	P109 F110 A175 P180	P109-V152 HydrophobicContact CB-CG2 3.57Å; F110-V152 PolarHBondContact O-N 3.23Å; V152-A175 HydrophobicContact CB-CB 4.29Å; V152-A175 HydrophobicContact CG1-CB 3.95Å; V152-A175 HydrophobicContact CG2-CB 4.18Å; V152-P180 HydrophobicContact CG2-CG 3.79Å
153	K	98.2	Very high	97.9	Very high	87 Å²	87	66.4 Å²	66.4	38%	0.378	31%	0.312	S	S	.	.			trans	-158.6	156.4	178.3	-161.7	173.6	-172.8	168.6	0	111	L111 L112 A151 V155 E171	L111-K153 HydrophobicContact CD2-CB 3.83Å; L112-K153 PolarHBondContact N-O 2.57Å; A151-K153 VanDerWaalsContact C-N 3.27Å; A151-K153 PolarHBondContact O-N 3.05Å; K153-V155 HydrophobicContact CD-CG1 4.29Å; K153-V155 HydrophobicContact CG-CG1 4.38Å; K153-E171 HydrophobicContact CD-CG 4.15Å; K153-E171 WeakPolarHBondContact CD-OE2 3.44Å; K153-E171 IonicContact NZ-OE1 2.76Å; K153-E171 PolarHBondContact NZ-OE1 3.05Å; K153-E171 IonicContact NZ-OE2 2.86Å; K153-E171 PolarHBondContact NZ-OE2 3.08Å
154	Y	98.8	Very high	97.9	Very high	28 Å²	28	63.7 Å²	63.7	11%	0.11	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132	163	176.2	-120.9	0	0	0	110	F82 L112 A142 E143 E156	F82-Y154 AromaticContact CE1-CE2 3.76Å; F82-Y154 HydrophobicContact CE1-CE2 3.76Å; F82-Y154 AromaticContact CZ-CE2 3.87Å; F82-Y154 HydrophobicContact CZ-CE2 3.87Å; L112-Y154 HydrophobicContact CB-CD2 4.07Å; L112-Y154 HydrophobicContact CD2-CD2 3.92Å; L112-Y154 HydrophobicContact CD2-CE2 4.42Å; L112-Y154 HydrophobicContact CG-CD2 3.85Å; L112-Y154 HydrophobicContact CG-CE2 4.33Å; L112-Y154 WeakPolarHBondContact O-CA 3.48Å; L112-Y154 WeakPolarHBondContact O-CD2 3.18Å; A142-Y154 HydrophobicContact CB-CD1 4.18Å; A142-Y154 HydrophobicContact CB-CD2 4.04Å; A142-Y154 HydrophobicContact CB-CE1 3.62Å; A142-Y154 HydrophobicContact CB-CE2 3.49Å; A142-Y154 VanDerWaalsContact CB-CE2 3.49Å; A142-Y154 HydrophobicContact CB-CG 4.35Å; A142-Y154 WeakPolarHBondContact CB-OH 3.46Å; E143-Y154 HydrophobicContact CG-CD1 3.61Å; E143-Y154 HydrophobicContact CG-CE1 4.41Å; E143-Y154 HydrophobicContact CG-CG 4.34Å; Y154-E156 HydrophobicContact CE1-CG 3.58Å; Y154-E156 WeakPolarHBondContact CE1-OE1 3.37Å; Y154-E156 HydrophobicContact CE2-CG 4.22Å; Y154-E156 VanDerWaalsContact CZ-OE1 3.31Å; Y154-E156 WeakPolarHBondContact OH-CG 3.35Å; Y154-E156 PolarHBondContact OH-OE1 2.89Å
155	V	98.7	Very high	97.7	Very high	5 Å²	5	58.1 Å²	58.1	3%	0.03	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149	176.3	-68.3	0	0	0	0	110.6	L111 L112 V113 G114 K153 V168 E171	L111-V155 HydrophobicContact CD2-CG1 4.18Å; L111-V155 HydrophobicContact CD2-CG2 4.17Å; L112-V155 PolarHBondContact O-N 3.33Å; V113-V155 CarbonylContact C-O 3.45Å; V113-V155 WeakPolarHBondContact CA-O 3.23Å; V113-V155 HydrophobicContact CB-CG2 4.4Å; V113-V155 HydrophobicContact CG1-CG2 4.34Å; V113-V155 HydrophobicContact CG2-CG2 3.87Å; G114-V155 PolarHBondContact N-O 3.24Å; K153-V155 HydrophobicContact CD-CG1 4.29Å; K153-V155 HydrophobicContact CG-CG1 4.38Å; V155-V168 HydrophobicContact CB-CG2 4.33Å; V155-V168 HydrophobicContact CG2-CB 4.35Å; V155-V168 HydrophobicContact CG2-CG1 4.35Å; V155-V168 HydrophobicContact CG2-CG2 3.86Å; V155-E171 HydrophobicContact CG1-CB 4.34Å; V155-E171 HydrophobicContact CG1-CG 4.08Å
156	E	98.7	Very high	97.6	Very high	38 Å²	38	63.6 Å²	63.6	18%	0.178	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.4	-179.9	-76.8	-168.2	175.4	0	0	111.8	G114 I117 R120 Y154	G114-E156 CarbonylContact O-C 3.46Å; G114-E156 VanDerWaalsContact O-CA 3.31Å; G114-E156 WeakPolarHBondContact O-CA 3.4Å; I117-E156 HydrophobicContact CD1-CB 4.36Å; I117-E156 HydrophobicContact CG2-CB 3.89Å; I117-E156 HydrophobicContact CG2-CG 4.17Å; R120-E156 IonicContact CZ-OE1 2.65Å; R120-E156 IonicContact CZ-OE2 3.65Å; R120-E156 IonicContact NH1-OE1 3.05Å; R120-E156 IonicContact NH1-OE2 2.69Å; R120-E156 PolarHBondContact NH1-OE2 2.94Å; R120-E156 IonicContact NH2-OE1 3.65Å; R120-E156 PolarHBondContact NH2-OE1 3.03Å; R120-E156 IonicContact NH2-OE2 3.58Å; R120-E156 PolarHBondContact NH2-OE2 3.01Å; Y154-E156 HydrophobicContact CE1-CG 3.58Å; Y154-E156 WeakPolarHBondContact CE1-OE1 3.37Å; Y154-E156 HydrophobicContact CE2-CG 4.22Å; Y154-E156 VanDerWaalsContact CZ-OE1 3.31Å; Y154-E156 WeakPolarHBondContact OH-CG 3.35Å; Y154-E156 PolarHBondContact OH-OE1 2.89Å
157	C	98.7	Very high	97.5	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.007	32%	0.321	C	S	.	.			trans	-152.2	159.5	176.2	67.5	0	0	0	0	114.1	L19 G114 T115 Q116 I117 R163 V168	L19-C157 HydrophobicContact CD1-CB 4.4Å; L19-C157 WeakPolarHBondContact CD1-SG 3.33Å; G114-C157 PolarHBondContact O-N 3.13Å; T115-C157 CarbonylContact C-O 3.37Å; T115-C157 WeakPolarHBondContact CA-O 3.39Å; Q116-C157 PolarHBondContact N-O 3.36Å; Q116-C157 VanDerWaalsContact N-O 3.12Å; I117-C157 PolarHBondContact N-O 3.5Å; C157-R163 CarbonylContact C-O 3.58Å; C157-R163 WeakPolarHBondContact CA-O 3.34Å; C157-R163 WeakPolarHBondContact CB-O 3.33Å; C157-V168 HydrophobicContact CB-CG2 3.81Å
158	S	98.4	Very high	97.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.293	C	S	.	.			trans	-122.8	115.5	164.8	166.5	0	0	0	0	107.3	D118 L160 T161 Q162 R163	D118-S158 VanDerWaalsContact CG-OG 3.22Å; D118-S158 WeakPolarHBondContact OD1-CB 3.41Å; D118-S158 PolarHBondContact OD1-OG 2.55Å; S158-L160 PolarHBondContact O-N 3.17Å; S158-L160 PolarHBondContact OG-N 2.95Å; S158-T161 WeakPolarHBondContact CB-OG1 3.5Å; S158-T161 PolarHBondContact OG-N 2.93Å; S158-T161 PolarHBondContact OG-OG1 3.26Å; S158-Q162 CarbonylContact O-C 3.58Å; S158-Q162 WeakPolarHBondContact O-CA 3.49Å; S158-Q162 PolarHBondContact O-N 2.69Å; S158-R163 PolarHBondContact N-O 3.1Å; S158-R163 PolarHBondContact O-N 2.74Å
159	A	97.1	Very high	97.5	Very high	12 Å²	12	54.1 Å²	54.1	10%	0.099	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-33	172.5	0	0	0	0	0	111.1	C18 S22 F28	C18-A159 HydrophobicContact CB-CB 3.97Å; S22-A159 PolarHBondContact OG-O 2.75Å; S22-A159 VanDerWaalsContact OG-O 3.08Å; F28-A159 HydrophobicContact CD2-CB 4.01Å; F28-A159 HydrophobicContact CE2-CB 3.94Å
160	L	95.6	Very high	97.4	Very high	94 Å²	94	55.2 Å²	55.2	49%	0.492	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-48.7	-179.5	179.3	62.4	0	0	0	112.2	F28 S158	F28-L160 HydrophobicContact CB-CD1 4.36Å; F28-L160 HydrophobicContact CD1-CD1 3.93Å; F28-L160 VanDerWaalsContact CD2-CA 3.46Å; F28-L160 HydrophobicContact CD2-CB 4.12Å; F28-L160 HydrophobicContact CD2-CD1 4.3Å; F28-L160 HydrophobicContact CE1-CD1 4.28Å; F28-L160 HydrophobicContact CE2-CB 4.14Å; F28-L160 HydrophobicContact CG-CD1 3.93Å; S158-L160 PolarHBondContact O-N 3.17Å; S158-L160 PolarHBondContact OG-N 2.95Å
161	T	96.2	Very high	97.4	Very high	84 Å²	84	48.2 Å²	48.2	52%	0.515	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-4.3	-177.9	64.8	0	0	0	0	113.1	D118 S158 R163	D118-T161 HydrophobicContact CB-CG2 4.11Å; S158-T161 WeakPolarHBondContact CB-OG1 3.5Å; S158-T161 PolarHBondContact OG-N 2.93Å; S158-T161 PolarHBondContact OG-OG1 3.26Å; T161-R163 PolarHBondContact O-N 3.07Å; T161-R163 WeakPolarHBondContact OG1-CB 3.32Å; T161-R163 PolarHBondContact OG1-N 3.31Å
162	Q	95.4	Very high	97.4	Very high	85 Å²	85	47.5 Å²	47.5	40%	0.397	24%	0.236	S	C	.	.			trans	60.8	5.9	-172.5	-52.4	178.4	18	0	0	114.7	N26 S158 G164 L165	N26-Q162 PolarHBondContact O-NE2 3.04Å; S158-Q162 CarbonylContact O-C 3.58Å; S158-Q162 WeakPolarHBondContact O-CA 3.49Å; S158-Q162 PolarHBondContact O-N 2.69Å; Q162-G164 PolarHBondContact O-N 2.54Å; Q162-L165 HydrophobicContact CB-CD2 4.36Å; Q162-L165 HydrophobicContact CG-CD2 4.38Å; Q162-L165 WeakPolarHBondContact O-CB 3.36Å; Q162-L165 PolarHBondContact O-N 3.21Å
163	R	98	Very high	97.3	Very high	181 Å²	181	45.2 Å²	45.2	68%	0.683	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	127.7	176.4	-176.4	177.8	176.7	-177.5	-0.6	109.8	I117 C157 S158 T161 L165	I117-R163 HydrophobicContact CD1-CG 4.16Å; C157-R163 CarbonylContact C-O 3.58Å; C157-R163 WeakPolarHBondContact CA-O 3.34Å; C157-R163 WeakPolarHBondContact CB-O 3.33Å; S158-R163 PolarHBondContact N-O 3.1Å; S158-R163 PolarHBondContact O-N 2.74Å; T161-R163 PolarHBondContact O-N 3.07Å; T161-R163 WeakPolarHBondContact OG1-CB 3.32Å; T161-R163 PolarHBondContact OG1-N 3.31Å; R163-L165 PolarHBondContact O-N 3.12Å; R163-L165 VanDerWaalsContact O-N 3.15Å
164	G	97.8	Very high	97.2	Very high	29 Å²	29	45.1 Å²	45.1	30%	0.299	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	-4.1	177.4	0	0	0	0	0	115.1	Q162 K166 N167 V168	Q162-G164 PolarHBondContact O-N 2.54Å; G164-K166 PolarHBondContact O-N 2.99Å; G164-N167 WeakPolarHBondContact O-CB 3.35Å; G164-N167 PolarHBondContact O-N 3.47Å; G164-V168 PolarHBondContact O-N 3.16Å; G164-V168 VanDerWaalsContact O-N 3.16Å
165	L	95.9	Very high	97.1	Very high	6 Å²	6	44 Å²	44	3%	0.031	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-51.3	-171.7	-172.5	61.6	0	0	0	112.6	L19 S22 Y23 Q162 R163 N167 V168 F169	L19-L165 HydrophobicContact CD1-CD1 3.32Å; L19-L165 HydrophobicContact CG-CD1 4.07Å; S22-L165 WeakPolarHBondContact OG-CD2 3.46Å; Y23-L165 HydrophobicContact CD2-CG 4.46Å; Q162-L165 HydrophobicContact CB-CD2 4.36Å; Q162-L165 HydrophobicContact CG-CD2 4.38Å; Q162-L165 WeakPolarHBondContact O-CB 3.36Å; Q162-L165 PolarHBondContact O-N 3.21Å; R163-L165 PolarHBondContact O-N 3.12Å; R163-L165 VanDerWaalsContact O-N 3.15Å; L165-N167 VanDerWaalsContact C-N 3.27Å; L165-N167 PolarHBondContact O-N 3.19Å; L165-V168 WeakPolarHBondContact O-CB 3.37Å; L165-V168 PolarHBondContact O-N 3.38Å; L165-F169 HydrophobicContact CD1-CE2 4Å; L165-F169 HydrophobicContact CG-CE2 4.46Å; L165-F169 VanDerWaalsContact O-CD2 3.26Å; L165-F169 WeakPolarHBondContact O-CD2 3.19Å
166	K	95.3	Very high	96.9	Very high	133 Å²	133	44.7 Å²	44.7	58%	0.578	23%	0.228	S	C	*	.	H	α-helix	trans	-57.9	-41.6	176.2	-169.8	-169	-178.7	-57.8	0	111.8	G164 V168 F169 D170	G164-K166 PolarHBondContact O-N 2.99Å; K166-V168 VanDerWaalsContact C-N 3.29Å; K166-V168 PolarHBondContact O-N 3.28Å; K166-F169 PolarHBondContact O-N 3.45Å; K166-F169 VanDerWaalsContact O-N 3.16Å; K166-D170 IonicContact NZ-OD1 2.61Å; K166-D170 PolarHBondContact NZ-OD1 2.76Å; K166-D170 IonicContact NZ-OD2 3.43Å; K166-D170 PolarHBondContact NZ-OD2 2.87Å; K166-D170 VanDerWaalsContact O-CG 3.31Å; K166-D170 PolarHBondContact O-N 2.93Å
167	N	97.6	Very high	96.6	Very high	68 Å²	68	46 Å²	46	36%	0.364	24%	0.236	S	C	.	.	H	α-helix	trans	-61.9	-35.6	-178.4	-174.1	75.2	0	0	0	112.3	G164 L165 F169 E171	G164-N167 WeakPolarHBondContact O-CB 3.35Å; G164-N167 PolarHBondContact O-N 3.47Å; L165-N167 VanDerWaalsContact C-N 3.27Å; L165-N167 PolarHBondContact O-N 3.19Å; N167-F169 VanDerWaalsContact C-N 3.32Å; N167-F169 PolarHBondContact O-N 3.28Å; N167-E171 WeakPolarHBondContact O-CB 3.41Å; N167-E171 WeakPolarHBondContact O-CG 3.24Å; N167-E171 PolarHBondContact O-N 3.2Å
168	V	98.4	Very high	96.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.8	-47.2	175	174.5	0	0	0	0	111.1	L19 L79 V113 V155 C157 G164 L165 K166 A172	L19-V168 HydrophobicContact CD2-CG1 4.48Å; L79-V168 HydrophobicContact CD1-CG1 3.75Å; L79-V168 HydrophobicContact CD2-CG1 4.12Å; V113-V168 HydrophobicContact CG1-CG1 4.19Å; V113-V168 HydrophobicContact CG1-CG2 4.08Å; V113-V168 HydrophobicContact CG2-CG1 4.12Å; V155-V168 HydrophobicContact CB-CG2 4.33Å; V155-V168 HydrophobicContact CG2-CB 4.35Å; V155-V168 HydrophobicContact CG2-CG1 4.35Å; V155-V168 HydrophobicContact CG2-CG2 3.86Å; C157-V168 HydrophobicContact CB-CG2 3.81Å; G164-V168 PolarHBondContact O-N 3.16Å; G164-V168 VanDerWaalsContact O-N 3.16Å; L165-V168 WeakPolarHBondContact O-CB 3.37Å; L165-V168 PolarHBondContact O-N 3.38Å; K166-V168 VanDerWaalsContact C-N 3.29Å; K166-V168 PolarHBondContact O-N 3.28Å; V168-A172 WeakPolarHBondContact O-CB 3.33Å; V168-A172 PolarHBondContact O-N 3.43Å; V168-A172 VanDerWaalsContact O-N 3.08Å
169	F	97.3	Very high	95.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-79.7	-33.8	-176.7	-62.4	-79.9	0	0	0	112.8	L19 L20 Y23 L53 L55 L79 L165 K166 N167 E171 A172 I173	L19-F169 HydrophobicContact CD1-CE2 4.42Å; L19-F169 HydrophobicContact CD2-CZ 4.14Å; L19-F169 HydrophobicContact CG-CE2 4.2Å; L19-F169 HydrophobicContact CG-CZ 3.95Å; L20-F169 HydrophobicContact CD2-CE1 3.89Å; L20-F169 HydrophobicContact CD2-CZ 3.91Å; Y23-F169 HydrophobicContact CD1-CD1 4.02Å; Y23-F169 AromaticContact CD1-CD2 3.64Å; Y23-F169 HydrophobicContact CD1-CD2 3.64Å; Y23-F169 HydrophobicContact CD1-CE1 4.01Å; Y23-F169 AromaticContact CD1-CE2 3.65Å; Y23-F169 HydrophobicContact CD1-CE2 3.65Å; Y23-F169 AromaticContact CD1-CG 3.83Å; Y23-F169 HydrophobicContact CD1-CG 3.83Å; Y23-F169 AromaticContact CD1-CZ 3.82Å; Y23-F169 HydrophobicContact CD1-CZ 3.82Å; Y23-F169 AromaticContact CD2-CD2 3.28Å; Y23-F169 HydrophobicContact CD2-CD2 3.28Å; Y23-F169 AromaticContact CD2-CE2 3.66Å; Y23-F169 HydrophobicContact CD2-CE2 3.66Å; Y23-F169 HydrophobicContact CD2-CG 4.02Å; Y23-F169 HydrophobicContact CE1-CB 4.05Å; Y23-F169 AromaticContact CE1-CD1 3.93Å; Y23-F169 HydrophobicContact CE1-CD1 3.93Å; Y23-F169 AromaticContact CE1-CD2 3.86Å; Y23-F169 HydrophobicContact CE1-CD2 3.86Å; Y23-F169 HydrophobicContact CE1-CE1 4.36Å; Y23-F169 HydrophobicContact CE1-CE2 4.33Å; Y23-F169 AromaticContact CE1-CG 3.65Å; Y23-F169 HydrophobicContact CE1-CG 3.65Å; Y23-F169 HydrophobicContact CE2-CB 3.88Å; Y23-F169 AromaticContact CE2-CD2 3.54Å; Y23-F169 HydrophobicContact CE2-CD2 3.54Å; Y23-F169 HydrophobicContact CE2-CE2 4.34Å; Y23-F169 AromaticContact CE2-CG 3.86Å; Y23-F169 HydrophobicContact CE2-CG 3.86Å; Y23-F169 AromaticContact CG-CD2 3.33Å; Y23-F169 HydrophobicContact CG-CD2 3.33Å; Y23-F169 HydrophobicContact CG-CE1 4.46Å; Y23-F169 AromaticContact CG-CE2 3.26Å; Y23-F169 HydrophobicContact CG-CE2 3.26Å; Y23-F169 HydrophobicContact CG-CG 4.01Å; Y23-F169 AromaticContact CG-CZ 3.86Å; Y23-F169 HydrophobicContact CG-CZ 3.86Å; Y23-F169 AromaticContact CZ-CD2 3.83Å; Y23-F169 AromaticContact CZ-CG 3.67Å; L53-F169 HydrophobicContact CD2-CB 4.32Å; L53-F169 HydrophobicContact CD2-CD1 4.07Å; L55-F169 HydrophobicContact CD1-CE1 4.32Å; L55-F169 HydrophobicContact CD2-CD1 3.87Å; L55-F169 HydrophobicContact CD2-CE1 3.61Å; L79-F169 HydrophobicContact CD1-CE1 4.11Å; L165-F169 HydrophobicContact CD1-CE2 4Å; L165-F169 HydrophobicContact CG-CE2 4.46Å; L165-F169 VanDerWaalsContact O-CD2 3.26Å; L165-F169 WeakPolarHBondContact O-CD2 3.19Å; K166-F169 PolarHBondContact O-N 3.45Å; K166-F169 VanDerWaalsContact O-N 3.16Å; N167-F169 VanDerWaalsContact C-N 3.32Å; N167-F169 PolarHBondContact O-N 3.28Å; F169-E171 VanDerWaalsContact C-N 3.34Å; F169-E171 PolarHBondContact O-N 3.18Å; F169-A172 PolarHBondContact O-N 3.38Å; F169-I173 WeakPolarHBondContact O-CB 3.47Å; F169-I173 WeakPolarHBondContact O-CD1 3.32Å; F169-I173 WeakPolarHBondContact O-CG1 3.5Å; F169-I173 PolarHBondContact O-N 3.46Å
170	D	96.1	Very high	94.2	Very high	54 Å²	54	59.9 Å²	59.9	29%	0.289	31%	0.312	S	S	.	.	H	α-helix	trans	-58.7	-47.2	172.2	-68.6	-17.9	0	0	0	110.6	K166 A172 I173 L174	K166-D170 IonicContact NZ-OD1 2.61Å; K166-D170 PolarHBondContact NZ-OD1 2.76Å; K166-D170 IonicContact NZ-OD2 3.43Å; K166-D170 PolarHBondContact NZ-OD2 2.87Å; K166-D170 VanDerWaalsContact O-CG 3.31Å; K166-D170 PolarHBondContact O-N 2.93Å; D170-A172 VanDerWaalsContact C-N 3.35Å; D170-A172 PolarHBondContact O-N 3.09Å; D170-I173 PolarHBondContact O-N 3.4Å; D170-L174 WeakPolarHBondContact O-CG 3.45Å; D170-L174 PolarHBondContact O-N 2.82Å
171	E	97.8	Very high	93	Very high	35 Å²	35	64.6 Å²	64.6	16%	0.164	33%	0.331	C	S	.	.	H	α-helix	trans	-69.6	-31.7	178.7	-63.6	-74.1	169	0	0	112.4	L111 K153 V155 N167 F169 A175	L111-E171 HydrophobicContact CD2-CB 3.65Å; K153-E171 HydrophobicContact CD-CG 4.15Å; K153-E171 WeakPolarHBondContact CD-OE2 3.44Å; K153-E171 IonicContact NZ-OE1 2.76Å; K153-E171 PolarHBondContact NZ-OE1 3.05Å; K153-E171 IonicContact NZ-OE2 2.86Å; K153-E171 PolarHBondContact NZ-OE2 3.08Å; V155-E171 HydrophobicContact CG1-CB 4.34Å; V155-E171 HydrophobicContact CG1-CG 4.08Å; N167-E171 WeakPolarHBondContact O-CB 3.41Å; N167-E171 WeakPolarHBondContact O-CG 3.24Å; N167-E171 PolarHBondContact O-N 3.2Å; F169-E171 VanDerWaalsContact C-N 3.34Å; F169-E171 PolarHBondContact O-N 3.18Å; E171-A175 VanDerWaalsContact O-CB 3.28Å; E171-A175 WeakPolarHBondContact O-CB 3.36Å; E171-A175 PolarHBondContact O-N 3.33Å
172	A	97.6	Very high	91.2	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-64.8	-45	172.3	0	0	0	0	0	112.4	V77 L79 L111 V168 F169 D170 A175 A176	V77-A172 HydrophobicContact CG1-CB 4.13Å; V77-A172 HydrophobicContact CG2-CB 4.41Å; L79-A172 HydrophobicContact CD2-CB 3.97Å; L111-A172 HydrophobicContact CD1-CB 3.82Å; V168-A172 WeakPolarHBondContact O-CB 3.33Å; V168-A172 PolarHBondContact O-N 3.43Å; V168-A172 VanDerWaalsContact O-N 3.08Å; F169-A172 PolarHBondContact O-N 3.38Å; D170-A172 VanDerWaalsContact C-N 3.35Å; D170-A172 PolarHBondContact O-N 3.09Å; A172-A175 PolarHBondContact O-N 3.37Å; A172-A176 WeakPolarHBondContact O-CB 3.44Å; A172-A176 PolarHBondContact O-N 3.4Å
173	I	96.2	Very high	89.1	Confident	10 Å²	10	70.9 Å²	70.9	5%	0.051	36%	0.362	C	S	.	.	H	α-helix	trans	-60.8	-47.6	175.5	-73.1	163	0	0	0	110.1	I4 V44 I46 L53 F169 D170 A175 A176 L177	I4-I173 HydrophobicContact CD1-CB 4.48Å; I4-I173 HydrophobicContact CD1-CG1 4.33Å; I4-I173 HydrophobicContact CD1-CG2 3.99Å; V44-I173 HydrophobicContact CB-CD1 4.42Å; V44-I173 HydrophobicContact CG1-CD1 4.38Å; V44-I173 HydrophobicContact CG2-CD1 3.89Å; I46-I173 HydrophobicContact CD1-CG2 3.25Å; I46-I173 HydrophobicContact CG1-CG2 4.14Å; L53-I173 HydrophobicContact CD1-CG1 4.29Å; L53-I173 HydrophobicContact CD2-CD1 4.19Å; L53-I173 HydrophobicContact CD2-CG1 4.33Å; F169-I173 WeakPolarHBondContact O-CB 3.47Å; F169-I173 WeakPolarHBondContact O-CD1 3.32Å; F169-I173 WeakPolarHBondContact O-CG1 3.5Å; F169-I173 PolarHBondContact O-N 3.46Å; D170-I173 PolarHBondContact O-N 3.4Å; I173-A175 PolarHBondContact O-N 3.26Å; I173-A176 PolarHBondContact O-N 3.12Å; I173-L177 HydrophobicContact CG2-CD1 3.97Å; I173-L177 WeakPolarHBondContact O-CG 3.45Å; I173-L177 PolarHBondContact O-N 2.89Å
174	L	95.5	Very high	86.7	Confident	84 Å²	84	73.6 Å²	73.6	44%	0.44	37%	0.373	S	S	.	.	H	α-helix	trans	-60	-45.9	177.4	-71.1	172.5	0	0	0	111.4	D170 A176 L177 E178	D170-L174 WeakPolarHBondContact O-CG 3.45Å; D170-L174 PolarHBondContact O-N 2.82Å; L174-A176 VanDerWaalsContact C-N 3.27Å; L174-A176 PolarHBondContact O-N 3.2Å; L174-L177 PolarHBondContact O-N 3.34Å; L174-E178 PolarHBondContact O-N 2.96Å
175	A	96.2	Very high	84.4	Confident	4 Å²	4	81.8 Å²	81.8	3%	0.033	40%	0.4	C	S	.	.	H	α-helix	trans	-62.2	-32.8	177.6	0	0	0	0	0	113.3	V77 P109 L111 V152 E171 A172 I173 P179	V77-A175 HydrophobicContact CG2-CB 4.13Å; P109-A175 WeakPolarHBondContact CG-O 3.41Å; L111-A175 HydrophobicContact CD1-CB 4.19Å; V152-A175 HydrophobicContact CB-CB 4.29Å; V152-A175 HydrophobicContact CG1-CB 3.95Å; V152-A175 HydrophobicContact CG2-CB 4.18Å; E171-A175 VanDerWaalsContact O-CB 3.28Å; E171-A175 WeakPolarHBondContact O-CB 3.36Å; E171-A175 PolarHBondContact O-N 3.33Å; A172-A175 PolarHBondContact O-N 3.37Å; I173-A175 PolarHBondContact O-N 3.26Å; A175-P179 WeakPolarHBondContact O-CA 3.17Å
176	A	95.6	Very high	82	Confident	20 Å²	20	92.9 Å²	92.9	17%	0.165	44%	0.441	C	S	.	.	H	α-helix	trans	-73.6	-39.8	176.8	0	0	0	0	0	112.6	I4 D76 V77 A172 I173 L174	I4-A176 HydrophobicContact CG2-CB 3.64Å; D76-A176 HydrophobicContact CB-CB 3.96Å; V77-A176 HydrophobicContact CB-CB 4.12Å; V77-A176 HydrophobicContact CG1-CB 4.09Å; A172-A176 WeakPolarHBondContact O-CB 3.44Å; A172-A176 PolarHBondContact O-N 3.4Å; I173-A176 PolarHBondContact O-N 3.12Å; L174-A176 VanDerWaalsContact C-N 3.27Å; L174-A176 PolarHBondContact O-N 3.2Å
177	L	92.9	Very high	79.7	Confident	66 Å²	66	96 Å²	96	35%	0.346	46%	0.455	S	S	.	.	H	α-helix	trans	-81.4	-33.3	-177.9	-66.8	179.2	0	0	0	113	I4 I46 Y51 I173 L174 P179	I4-L177 HydrophobicContact CD1-CD1 4.38Å; I4-L177 HydrophobicContact CD1-CD2 4.04Å; I4-L177 HydrophobicContact CD1-CG 4.07Å; I46-L177 HydrophobicContact CD1-CD1 3.77Å; I46-L177 HydrophobicContact CG2-CD1 3.91Å; Y51-L177 HydrophobicContact CE1-CD2 3.94Å; I173-L177 HydrophobicContact CG2-CD1 3.97Å; I173-L177 WeakPolarHBondContact O-CG 3.45Å; I173-L177 PolarHBondContact O-N 2.89Å; L174-L177 PolarHBondContact O-N 3.34Å; L177-P179 VanDerWaalsContact C-CD 3.41Å; L177-P179 WeakPolarHBondContact O-CD 3.42Å
178	E	89.8	Confident	77.2	Confident	153 Å²	153	98.3 Å²	98.3	72%	0.715	48%	0.475	S	S	*	.	S	Bend	trans	-123.8	66.7	-178.9	-62.4	-178.4	-172.7	0	0	110.1	L174	L174-E178 PolarHBondContact O-N 2.96Å
179	P	78.7	Confident	74.8	Confident	74 Å²	74	103 Å²	103	48%	0.481	51%	0.507	S	S	.	.			trans	-63.6	138.5	-177.8	25.7	-33.4	0	0	0	110.5	P109 A175 L177 E181	P109-P179 HydrophobicContact CG-CB 4.41Å; A175-P179 WeakPolarHBondContact O-CA 3.17Å; L177-P179 VanDerWaalsContact C-CD 3.41Å; L177-P179 WeakPolarHBondContact O-CD 3.42Å; P179-E181 PolarHBondContact O-N 2.92Å
180	P	75.3	Confident	72.5	Confident	78 Å²	78	111 Å²	111	51%	0.506	55%	0.549	S	S	.	.			trans	-57.4	136.9	179.9	0.8	-2.4	0	0	0	111	V152 T182	V152-P180 HydrophobicContact CG2-CG 3.79Å; P180-T182 PolarHBondContact O-N 3Å
181	E	69.7	Low	70.4	Confident	193 Å²	193	121.2 Å²	121.2	90%	0.902	59%	0.591	S	S	*	*			trans	-57.4	112.5	179	-69.7	-164.8	164.7	0	0	110.5	P179 Q183	P179-E181 PolarHBondContact O-N 2.92Å; E181-Q183 PolarHBondContact O-N 3.35Å
182	T	58.8	Low	69	Low	107 Å²	107	125.6 Å²	125.6	66%	0.656	61%	0.612	S	S	*	*			trans	-62	114.2	168.7	44.9	0	0	0	0	108	P180 R184	P180-T182 PolarHBondContact O-N 3Å; T182-R184 PolarHBondContact O-N 2.93Å
183	Q	51.7	Low	67.5	Low	193 Å²	193	132.2 Å²	132.2	90%	0.902	65%	0.645	S	S	*	*			trans	-49.2	106.7	174.7	-70.6	-173.5	1.9	0	0	109.2	E181 K185	E181-Q183 PolarHBondContact O-N 3.35Å; Q183-K185 PolarHBondContact O-N 3.27Å
184	R	47.2	Very low	65.9	Low	239 Å²	239	138.9 Å²	138.9	90%	0.902	68%	0.678	S	S	*	*			trans	-56.2	111.7	170.7	-95.1	178.2	159.9	179.2	-4.2	106.6	T182 R186	T182-R184 PolarHBondContact O-N 2.93Å; R184-R186 PolarHBondContact O-N 3.24Å
185	K	48.6	Very low	64.1	Low	200 Å²	200	142.2 Å²	142.2	87%	0.87	69%	0.692	S	S	*	*			trans	-53.1	109.8	164.9	-76.5	-173.5	177.7	-178.7	0	106.5	Q183 K187	Q183-K185 PolarHBondContact O-N 3.27Å; K185-K187 PolarHBondContact O-N 2.97Å; K185-K187 VanDerWaalsContact O-N 3.08Å
186	R	46.5	Very low	62.1	Low	239 Å²	239	150.8 Å²	150.8	90%	0.902	73%	0.733	S	S	*	*			trans	-54.4	118.9	168.8	-74.9	-177.3	169.9	-173.7	-3	105.8	R184 C188	R184-R186 PolarHBondContact O-N 3.24Å; R186-C188 PolarHBondContact O-N 3.31Å
187	K	47.3	Very low	59.9	Low	199 Å²	199	159.5 Å²	159.5	87%	0.865	77%	0.771	S	S	*	*			trans	-58.1	107.3	166.7	-77.4	-175.6	175.4	-176.9	0	105.7	K185 C189	K185-K187 PolarHBondContact O-N 2.97Å; K185-K187 VanDerWaalsContact O-N 3.08Å; K187-C189 VanDerWaalsContact C-N 3.34Å; K187-C189 PolarHBondContact O-N 3.5Å
188	C	43.8	Very low	57.6	Low	116 Å²	116	166.2 Å²	166.2	78%	0.784	80%	0.801	S	S	*	*			trans	-62.5	104.4	160.7	-94.8	0	0	0	0	106.1	R186 L190	R186-C188 PolarHBondContact O-N 3.31Å; C188-L190 VanDerWaalsContact C-N 3.34Å; C188-L190 PolarHBondContact O-N 3.21Å; C188-L190 VanDerWaalsContact O-N 3.13Å
189	C	49.4	Very low	55.1	Low	99 Å²	99	167.2 Å²	167.2	67%	0.669	81%	0.808	S	S	*	*			trans	-67.8	101.3	157.6	-63.9	0	0	0	0	105.9	K187 F191	K187-C189 VanDerWaalsContact C-N 3.34Å; K187-C189 PolarHBondContact O-N 3.5Å; C189-F191 HydrophobicContact CB-CD2 4.42Å; C189-F191 HydrophobicContact CB-CE2 4.12Å; C189-F191 PolarHBondContact O-N 2.9Å
190	L	48	Very low	53.1	Low	168 Å²	168	175 Å²	175	88%	0.88	84%	0.835	S	S	*	*			trans	-71.8	112.6	160.5	-71.8	163.3	0	0	0	105.6	C188	C188-L190 VanDerWaalsContact C-N 3.34Å; C188-L190 PolarHBondContact O-N 3.21Å; C188-L190 VanDerWaalsContact O-N 3.13Å
191	F	51.1	Low	51.1	Low	269 Å²	269	183.8 Å²	183.8	100%	1.18	87%	0.865	S	S	*	*			trans	-83.4	0	164.2	-75.5	-85.2	0	0	0	109.2	C189	C189-F191 HydrophobicContact CB-CD2 4.42Å; C189-F191 HydrophobicContact CB-CE2 4.12Å; C189-F191 PolarHBondContact O-N 2.9Å

Retrieved 191 of 191 residues in 512.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).