A0A6P3RL04_PTEVA Loading...

Rho-related GTP-binding protein RhoG

Plays a role in immunological synaptic F-actin density and architecture organization. Regulates actin reorganization in lymphocytes, possibly through the modulation of Rac1 activity. Required for the formation of membrane ruffles during macropinocytosis. Plays a role in cell migration and is required for the formation of cup-like structures during trans-endothelial migration of leukocytes. Binds phospholipids in an activation-dependent manner; thereby acting as an anchor for other proteins to the plasma membrane (PM). Plays a role in exocytosis of cytotoxic granules (CG) by lymphocytes/Component of the exocytosis machinery in natural killer (NK) and CD8+ T cells. Promotes the docking of cytotoxic granules (CG) to the plasma membrane through the interaction with UNC13D. Involved in the cytotoxic activity of lymphocytes/primary CD8+ T cells.

AlphaFold DB , UniProt , Accession A0A6P3RL04, Species PTEVA (Pteropus vampyrus, Large flying fox), Gene RHOG, Length 191 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	70.6	Confident	95	Very high	139 Å²	139	32.5 Å²	32.5	69%	0.685	17%	0.17	S	C	*	.				0	125.6	0	-165.8	161.6	84.1	0	0	107.3	Q43 T50 N52	M1-Q43 HydrophobicContact CE-CG 4.05Å; M1-T50 HydrophobicContact SD-CG2 4.06Å; M1-N52 HydrophobicContact CE-CB 3.69Å
2	Q	91.1	Very high	95	Very high	100 Å²	100	32.4 Å²	32.4	47%	0.467	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	133	-178.6	-179.9	176.6	-2.3	0	0	109.6	I4 V51 N52	Q2-I4 HydrophobicContact CG-CG1 4.49Å; Q2-V51 HydrophobicContact CB-CG1 4.33Å; Q2-V51 CarbonylContact O-C 3.59Å; Q2-V51 WeakPolarHBondContact O-CA 3.42Å; Q2-V51 WeakPolarHBondContact O-CB 3.43Å; Q2-N52 PolarHBondContact O-N 3.17Å
3	S	95.6	Very high	95.1	Very high	68 Å²	68	34.2 Å²	34.2	48%	0.476	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	133.9	174.3	-68.9	0	0	0	0	109.7	N52	S3-N52 CarbonylContact C-O 3.56Å; S3-N52 WeakPolarHBondContact CA-O 3.43Å
4	I	97.9	Very high	95.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.7	177.1	-64	-179.9	0	0	0	107.8	Q2 V51 N52 L53 N54 N76 V77 V173 V176 L177	Q2-I4 HydrophobicContact CG-CG1 4.49Å; I4-V51 HydrophobicContact CD1-CB 4.21Å; I4-V51 HydrophobicContact CD1-CG1 4.05Å; I4-V51 HydrophobicContact CD1-CG2 4.1Å; I4-V51 HydrophobicContact CG1-CB 4.48Å; I4-N52 PolarHBondContact N-O 3.23Å; I4-L53 HydrophobicContact CB-CD1 4.06Å; I4-L53 HydrophobicContact CG2-CD1 3.82Å; I4-N54 PolarHBondContact O-N 3.25Å; I4-N76 WeakPolarHBondContact CA-OD1 3.5Å; I4-N76 HydrophobicContact CG2-CB 3.98Å; I4-V77 HydrophobicContact CG2-CG1 4.25Å; I4-V173 HydrophobicContact CD1-CB 4.39Å; I4-V173 HydrophobicContact CD1-CG1 3.96Å; I4-V173 HydrophobicContact CD1-CG2 4.33Å; I4-V176 HydrophobicContact CD1-CB 4.07Å; I4-V176 HydrophobicContact CD1-CG1 4.07Å; I4-V176 HydrophobicContact CG1-CG1 4.24Å; I4-V176 HydrophobicContact CG2-CB 4.48Å; I4-V176 HydrophobicContact CG2-CG2 4Å; I4-L177 HydrophobicContact CD1-CD2 4.19Å; I4-L177 HydrophobicContact CD1-CG 4.19Å
5	K	98.1	Very high	95.4	Very high	24 Å²	24	30.7 Å²	30.7	10%	0.104	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	118.1	171.6	176.8	169.9	172.5	174.8	0	109.8	V7 W56 S71 P73 N76 V77	K5-V7 HydrophobicContact CG-CG2 4.36Å; K5-W56 HydrophobicContact CD-CD2 4.48Å; K5-W56 HydrophobicContact CD-CZ2 4.34Å; K5-W56 VanDerWaalsContact CE-CE2 3.45Å; K5-W56 HydrophobicContact CG-CG 4.48Å; K5-S71 WeakPolarHBondContact CE-O 3.36Å; K5-S71 PolarHBondContact NZ-O 3.11Å; K5-P73 PolarHBondContact NZ-O 2.98Å; K5-N76 PolarHBondContact N-OD1 3.32Å; K5-N76 WeakPolarHBondContact O-CB 3.45Å; K5-N76 PolarHBondContact O-N 2.93Å; K5-V77 PolarHBondContact O-N 3.36Å
6	C	98.4	Very high	95.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	120.7	176.3	174.8	0	0	0	0	109.2	L53 N54 L55 W56 V77	C6-L53 HydrophobicContact CB-CD1 3.79Å; C6-N54 PolarHBondContact N-O 2.96Å; C6-L55 HydrophobicContact CB-CD2 4.03Å; C6-L55 WeakPolarHBondContact O-CA 3.36Å; C6-W56 PolarHBondContact O-N 2.98Å; C6-V77 WeakPolarHBondContact CA-O 3.45Å; C6-V77 HydrophobicContact CB-CG1 3.75Å
7	V	98.6	Very high	95.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	129.5	177.5	-179.7	0	0	0	0	109.5	K5 V9 W56 T58 Y72 T75 V77 F78 V79	K5-V7 HydrophobicContact CG-CG2 4.36Å; V7-V9 HydrophobicContact CG1-CG1 4.02Å; V7-W56 HydrophobicContact CB-CB 4.33Å; V7-W56 HydrophobicContact CG1-CB 4.37Å; V7-W56 HydrophobicContact CG2-CB 3.88Å; V7-W56 HydrophobicContact CG2-CG 4.12Å; V7-T58 HydrophobicContact CG1-CG2 3.86Å; V7-Y72 HydrophobicContact CG1-CD1 4.16Å; V7-Y72 HydrophobicContact CG1-CE1 4.07Å; V7-T75 HydrophobicContact CB-CG2 4.01Å; V7-T75 HydrophobicContact CG2-CG2 3.66Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.48Å; V7-V77 PolarHBondContact N-O 2.72Å; V7-V77 VanDerWaalsContact N-O 3.11Å; V7-F78 HydrophobicContact CB-CD1 3.83Å; V7-F78 HydrophobicContact CB-CE1 3.7Å; V7-F78 HydrophobicContact CG1-CD1 4.13Å; V7-F78 HydrophobicContact CG1-CE1 3.82Å; V7-F78 HydrophobicContact CG2-CE1 4.37Å; V7-F78 WeakPolarHBondContact O-CA 3.22Å; V7-V79 PolarHBondContact O-N 3.01Å
8	V	98.6	Very high	95.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.7	-180	-168.7	0	0	0	0	109.6	K16 L20 W56 T58 V79	V8-K16 HydrophobicContact CG1-CB 3.91Å; V8-K16 HydrophobicContact CG1-CD 4.11Å; V8-K16 HydrophobicContact CG1-CG 4.01Å; V8-L20 HydrophobicContact CB-CD1 4.37Å; V8-L20 HydrophobicContact CG2-CD1 4.08Å; V8-L20 HydrophobicContact CG2-CD2 3.81Å; V8-L20 HydrophobicContact CG2-CG 4.19Å; V8-W56 PolarHBondContact N-O 3.08Å; V8-T58 PolarHBondContact O-OG1 3.06Å; V8-V79 WeakPolarHBondContact CA-O 3.44Å; V8-V79 HydrophobicContact CG1-CB 4.28Å; V8-V79 HydrophobicContact CG1-CG1 4.25Å; V8-V79 HydrophobicContact CG2-CB 4.23Å
9	V	98.7	Very high	95.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	169.2	-179.5	-56.5	0	0	0	0	110.8	V7 K16 Y72 F78 V79 I80 C81 W97 V101	V7-V9 HydrophobicContact CG1-CG1 4.02Å; V9-K16 VanDerWaalsContact C-CD 3.41Å; V9-K16 WeakPolarHBondContact O-CD 3.44Å; V9-Y72 HydrophobicContact CG1-CE1 3.97Å; V9-F78 HydrophobicContact CG1-CD1 4.44Å; V9-V79 PolarHBondContact N-O 3.03Å; V9-I80 HydrophobicContact CG2-CB 4.32Å; V9-I80 HydrophobicContact CG2-CG1 3.74Å; V9-I80 HydrophobicContact CG2-CG2 4.45Å; V9-C81 PolarHBondContact O-N 3.43Å; V9-W97 HydrophobicContact CB-CE3 3.76Å; V9-W97 HydrophobicContact CB-CZ3 3.96Å; V9-W97 HydrophobicContact CG2-CE3 4.02Å; V9-V101 HydrophobicContact CG2-CG2 3.96Å
10	G	98.6	Very high	95.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.6	167.1	-174.2	0	0	0	0	0	111.7	K16 G60 C81 W97	G10-K16 PolarHBondContact O-NZ 2.82Å; G10-G60 WeakPolarHBondContact O-CA 3.24Å; G10-C81 WeakPolarHBondContact CA-O 3.36Å; G10-W97 WeakPolarHBondContact O-CH2 3.31Å; G10-W97 WeakPolarHBondContact O-CZ2 3.2Å
11	D	98.4	Very high	95.7	Very high	26 Å²	26	26.5 Å²	26.5	14%	0.139	16%	0.16	C	C	.	.	S	Bend	trans	-52.7	160	-176	-80	15.5	0	0	0	113.5	V14 K16 S89 N92 W97	D11-V14 HydrophobicContact CB-CG1 3.58Å; D11-V14 VanDerWaalsContact O-CG2 3.27Å; D11-V14 WeakPolarHBondContact O-CG2 3.41Å; D11-K16 PolarHBondContact O-NZ 3.42Å; D11-S89 VanDerWaalsContact OD2-CA 3.26Å; D11-S89 WeakPolarHBondContact OD2-CA 3.42Å; D11-S89 WeakPolarHBondContact OD2-CB 3.38Å; D11-N92 WeakPolarHBondContact OD1-CB 3.33Å; D11-N92 PolarHBondContact OD1-ND2 2.97Å; D11-N92 PolarHBondContact OD2-ND2 2.96Å; D11-W97 PolarHBondContact OD1-NE1 2.99Å
12	G	95.7	Very high	96.9	Very high	32 Å²	32	20 Å²	20	33%	0.33	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	143.9	167.5	0	0	0	0	0	111.7	V14 G60	G12-V14 PolarHBondContact O-N 2.97Å; G12-G60 PolarHBondContact N-O 3.26Å
13	A	95.6	Very high	97.1	Very high	55 Å²	55	16.6 Å²	16.6	46%	0.455	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	11.2	174.7	0	0	0	0	0	117.2	G15 K116	A13-G15 PolarHBondContact O-N 3.21Å; A13-K116 VanDerWaalsContact O-CE 3.31Å; A13-K116 WeakPolarHBondContact O-CE 3.42Å; A13-K116 PolarHBondContact O-NZ 3.02Å
14	V	98	Very high	97.1	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.018	10%	0.101	C	C	.	.	S	Bend	trans	-71.4	-14.5	174.9	-60	0	0	0	0	113.1	D11 G12 K16 C81 T115 K116	D11-V14 HydrophobicContact CB-CG1 3.58Å; D11-V14 VanDerWaalsContact O-CG2 3.27Å; D11-V14 WeakPolarHBondContact O-CG2 3.41Å; G12-V14 PolarHBondContact O-N 2.97Å; V14-K16 HydrophobicContact CG2-CD 4.42Å; V14-K16 HydrophobicContact CG2-CG 3.78Å; V14-C81 HydrophobicContact CG2-CB 3.93Å; V14-T115 WeakPolarHBondContact O-CB 3.38Å; V14-T115 PolarHBondContact O-OG1 3.24Å; V14-K116 VanDerWaalsContact O-CE 3.23Å; V14-K116 WeakPolarHBondContact O-CE 3.47Å
15	G	97.3	Very high	96.8	Very high	13 Å²	13	19 Å²	19	13%	0.134	12%	0.124	C	C	.	.	S	Bend	trans	104.9	24.7	174.8	0	0	0	0	0	115.3	A13 C18 L19	A13-G15 PolarHBondContact O-N 3.21Å; G15-C18 PolarHBondContact O-N 3.19Å; G15-L19 WeakPolarHBondContact O-CB 3.29Å; G15-L19 PolarHBondContact O-N 3.15Å
16	K	97.9	Very high	96.4	Very high	10 Å²	10	22.1 Å²	22.1	4%	0.043	14%	0.141	C	C	.	.	H	α-helix	trans	-56.3	-53	174.2	-54.3	-171.9	-59.3	-81	0	111.8	V8 V9 G10 D11 V14 C18 L19 L20 T58 C81	V8-K16 HydrophobicContact CG1-CB 3.91Å; V8-K16 HydrophobicContact CG1-CD 4.11Å; V8-K16 HydrophobicContact CG1-CG 4.01Å; V9-K16 VanDerWaalsContact C-CD 3.41Å; V9-K16 WeakPolarHBondContact O-CD 3.44Å; G10-K16 PolarHBondContact O-NZ 2.82Å; D11-K16 PolarHBondContact O-NZ 3.42Å; V14-K16 HydrophobicContact CG2-CD 4.42Å; V14-K16 HydrophobicContact CG2-CG 3.78Å; K16-C18 PolarHBondContact O-N 3.43Å; K16-L19 WeakPolarHBondContact O-CB 3.38Å; K16-L19 PolarHBondContact O-N 3.12Å; K16-L19 VanDerWaalsContact O-N 3.17Å; K16-L20 WeakPolarHBondContact O-CG 3.43Å; K16-L20 PolarHBondContact O-N 3.34Å; K16-T58 WeakPolarHBondContact CE-O 3.46Å; K16-T58 PolarHBondContact NZ-O 2.94Å; K16-C81 HydrophobicContact CG-CB 3.97Å
17	T	96.7	Very high	95.9	Very high	26 Å²	26	24.5 Å²	24.5	16%	0.16	16%	0.161	C	C	.	.	H	α-helix	trans	-61	-44.9	178.5	-42.6	0	0	0	0	112.2	L19 L20 I21 T35 D57	T17-L19 VanDerWaalsContact C-N 3.32Å; T17-L19 PolarHBondContact O-N 3.03Å; T17-L20 PolarHBondContact O-N 3.3Å; T17-I21 HydrophobicContact CG2-CD1 3.79Å; T17-I21 HydrophobicContact CG2-CG1 4.4Å; T17-I21 WeakPolarHBondContact O-CB 3.26Å; T17-I21 WeakPolarHBondContact O-CG1 3.47Å; T17-I21 PolarHBondContact O-N 3.01Å; T17-T35 PolarHBondContact OG1-OG1 3.22Å; T17-D57 WeakPolarHBondContact CA-OD2 3.42Å; T17-D57 VanDerWaalsContact CB-OD2 3.24Å; T17-D57 WeakPolarHBondContact CB-OD2 3.37Å; T17-D57 VanDerWaalsContact CG2-OD2 3.32Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.2Å; T17-D57 PolarHBondContact OG1-OD2 3.46Å
18	C	96.5	Very high	95.5	Very high	24 Å²	24	28.6 Å²	28.6	16%	0.162	18%	0.179	C	C	.	.	H	α-helix	trans	-59.9	-42.5	175.3	-60.5	0	0	0	0	111.9	G15 K16 C22 F28 P29 A159	G15-C18 PolarHBondContact O-N 3.19Å; K16-C18 PolarHBondContact O-N 3.43Å; C18-C22 WeakPolarHBondContact O-CB 3.3Å; C18-C22 PolarHBondContact O-N 3.3Å; C18-C22 PolarHBondContact O-SG 3.44Å; C18-F28 HydrophobicContact CB-CD2 4.48Å; C18-F28 HydrophobicContact CB-CE2 3.83Å; C18-F28 HydrophobicContact CB-CZ 4.41Å; C18-P29 HydrophobicContact CB-CG 4.4Å; C18-A159 HydrophobicContact CB-CB 3.93Å
19	L	97.7	Very high	94.9	Very high	1 Å²	1	30 Å²	30	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-61.2	-45.7	177.4	172.3	62.2	0	0	0	111.3	G15 K16 T17 Y23 V113 V165 V168 F169	G15-L19 WeakPolarHBondContact O-CB 3.29Å; G15-L19 PolarHBondContact O-N 3.15Å; K16-L19 WeakPolarHBondContact O-CB 3.38Å; K16-L19 PolarHBondContact O-N 3.12Å; K16-L19 VanDerWaalsContact O-N 3.17Å; T17-L19 VanDerWaalsContact C-N 3.32Å; T17-L19 PolarHBondContact O-N 3.03Å; L19-Y23 WeakPolarHBondContact O-CB 3.29Å; L19-Y23 PolarHBondContact O-N 3.04Å; L19-Y23 VanDerWaalsContact O-N 3.07Å; L19-V113 HydrophobicContact CD2-CG1 4.41Å; L19-V165 HydrophobicContact CD1-CB 4.34Å; L19-V165 HydrophobicContact CD1-CG1 4.02Å; L19-V165 HydrophobicContact CD1-CG2 4.12Å; L19-V168 HydrophobicContact CD2-CG1 4.29Å; L19-F169 HydrophobicContact CD1-CE2 3.84Å; L19-F169 HydrophobicContact CD1-CZ 4.34Å; L19-F169 HydrophobicContact CD2-CE2 4.41Å; L19-F169 HydrophobicContact CD2-CZ 4.12Å; L19-F169 HydrophobicContact CG-CE2 3.8Å; L19-F169 HydrophobicContact CG-CZ 3.81Å
20	L	96.4	Very high	94	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-51.1	179	-70.6	176.6	0	0	0	112.4	V8 K16 T17 C22 Y23 T24 Y40 L55 D57 F169	V8-L20 HydrophobicContact CB-CD1 4.37Å; V8-L20 HydrophobicContact CG2-CD1 4.08Å; V8-L20 HydrophobicContact CG2-CD2 3.81Å; V8-L20 HydrophobicContact CG2-CG 4.19Å; K16-L20 WeakPolarHBondContact O-CG 3.43Å; K16-L20 PolarHBondContact O-N 3.34Å; T17-L20 PolarHBondContact O-N 3.3Å; L20-C22 PolarHBondContact O-N 3.31Å; L20-Y23 PolarHBondContact O-N 2.95Å; L20-T24 PolarHBondContact O-N 2.9Å; L20-T24 PolarHBondContact O-OG1 2.92Å; L20-Y40 HydrophobicContact CB-CD2 4.22Å; L20-Y40 HydrophobicContact CB-CE2 4.32Å; L20-Y40 HydrophobicContact CD1-CD2 4.36Å; L20-Y40 HydrophobicContact CD1-CE2 4.43Å; L20-L55 HydrophobicContact CD2-CB 3.73Å; L20-L55 HydrophobicContact CD2-CD1 3.89Å; L20-L55 HydrophobicContact CD2-CD2 3.78Å; L20-L55 HydrophobicContact CD2-CG 4.01Å; L20-D57 HydrophobicContact CD1-CB 3.38Å; L20-F169 HydrophobicContact CD2-CE1 3.89Å; L20-F169 HydrophobicContact CD2-CZ 3.61Å
21	I	94	Very high	93.2	Very high	36 Å²	36	47.7 Å²	47.7	19%	0.185	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-44.7	178.7	-67.9	174.4	0	0	0	110.8	T17 Y23 T24 T25 P29 Y40	T17-I21 HydrophobicContact CG2-CD1 3.79Å; T17-I21 HydrophobicContact CG2-CG1 4.4Å; T17-I21 WeakPolarHBondContact O-CB 3.26Å; T17-I21 WeakPolarHBondContact O-CG1 3.47Å; T17-I21 PolarHBondContact O-N 3.01Å; I21-Y23 VanDerWaalsContact C-N 3.29Å; I21-Y23 PolarHBondContact O-N 3.4Å; I21-T24 PolarHBondContact O-N 3.17Å; I21-T24 PolarHBondContact O-OG1 3.43Å; I21-T25 HydrophobicContact CG2-CG2 4.25Å; I21-T25 WeakPolarHBondContact O-CB 3.43Å; I21-T25 PolarHBondContact O-N 3.47Å; I21-T25 PolarHBondContact O-OG1 3.14Å; I21-P29 HydrophobicContact CD1-CB 4.19Å; I21-P29 HydrophobicContact CD1-CG 4.23Å; I21-P29 HydrophobicContact CG2-CB 4.36Å; I21-P29 HydrophobicContact CG2-CG 4.37Å; I21-Y40 HydrophobicContact CG1-CE1 4.4Å
22	C	95.4	Very high	92	Very high	3 Å²	3	53 Å²	53	2%	0.02	29%	0.286	C	S	.	.	H	α-helix	trans	-60.7	-40.1	177.4	-79.9	0	0	0	0	111.9	C18 L20 N26 A27 F28 A159 V165	C18-C22 WeakPolarHBondContact O-CB 3.3Å; C18-C22 PolarHBondContact O-N 3.3Å; C18-C22 PolarHBondContact O-SG 3.44Å; L20-C22 PolarHBondContact O-N 3.31Å; C22-N26 WeakPolarHBondContact O-CA 3.44Å; C22-N26 PolarHBondContact O-N 2.91Å; C22-A27 WeakPolarHBondContact CA-O 3.38Å; C22-A27 PolarHBondContact SG-O 3.48Å; C22-A27 VanDerWaalsContact SG-O 3.35Å; C22-F28 VanDerWaalsContact SG-CA 3.54Å; C22-A159 HydrophobicContact CB-CB 4.3Å; C22-A159 PolarHBondContact SG-O 3.35Å; C22-V165 HydrophobicContact CB-CG1 4.23Å
23	Y	95.9	Very high	91.3	Very high	27 Å²	27	57.4 Å²	57.4	11%	0.106	30%	0.301	C	S	.	.	H	α-helix	trans	-65.4	-43.1	177.9	173.7	-107.2	0	0	0	112.2	L19 L20 I21 A42 S44 L53 L55 F169	L19-Y23 WeakPolarHBondContact O-CB 3.29Å; L19-Y23 PolarHBondContact O-N 3.04Å; L19-Y23 VanDerWaalsContact O-N 3.07Å; L20-Y23 PolarHBondContact O-N 2.95Å; I21-Y23 VanDerWaalsContact C-N 3.29Å; I21-Y23 PolarHBondContact O-N 3.4Å; Y23-A42 HydrophobicContact CD1-CB 4.43Å; Y23-A42 HydrophobicContact CE1-CB 3.69Å; Y23-S44 WeakPolarHBondContact OH-CB 3.32Å; Y23-S44 PolarHBondContact OH-OG 3.04Å; Y23-L53 HydrophobicContact CE1-CD2 4.02Å; Y23-L55 HydrophobicContact CD1-CD1 3.6Å; Y23-L55 HydrophobicContact CE1-CD1 3.85Å; Y23-F169 AromaticContact CD1-CD2 3.78Å; Y23-F169 HydrophobicContact CD1-CD2 3.78Å; Y23-F169 HydrophobicContact CD1-CE2 4.18Å; Y23-F169 HydrophobicContact CD1-CG 4.06Å; Y23-F169 HydrophobicContact CD2-CB 4.03Å; Y23-F169 AromaticContact CD2-CD2 3.38Å; Y23-F169 HydrophobicContact CD2-CD2 3.38Å; Y23-F169 HydrophobicContact CD2-CE2 4.21Å; Y23-F169 AromaticContact CD2-CG 4Å; Y23-F169 HydrophobicContact CD2-CG 4Å; Y23-F169 HydrophobicContact CE1-CB 4.15Å; Y23-F169 HydrophobicContact CE1-CD2 4.26Å; Y23-F169 HydrophobicContact CE1-CG 4.12Å; Y23-F169 HydrophobicContact CE2-CB 3.62Å; Y23-F169 AromaticContact CE2-CD2 3.92Å; Y23-F169 HydrophobicContact CE2-CD2 3.92Å; Y23-F169 HydrophobicContact CE2-CG 4.07Å; Y23-F169 HydrophobicContact CG-CB 4.44Å; Y23-F169 AromaticContact CG-CD2 3.29Å; Y23-F169 HydrophobicContact CG-CD2 3.29Å; Y23-F169 AromaticContact CG-CE2 3.72Å; Y23-F169 HydrophobicContact CG-CE2 3.72Å; Y23-F169 AromaticContact CG-CG 3.98Å; Y23-F169 HydrophobicContact CG-CG 3.98Å
24	T	93.6	Very high	90.4	Very high	43 Å²	43	58.4 Å²	58.4	26%	0.264	30%	0.303	S	S	.	.	H	α-helix	trans	-82.2	-27	-175.5	58.4	0	0	0	0	114	L20 I21 A42 L55	L20-T24 PolarHBondContact O-N 2.9Å; L20-T24 PolarHBondContact O-OG1 2.92Å; I21-T24 PolarHBondContact O-N 3.17Å; I21-T24 PolarHBondContact O-OG1 3.43Å; T24-A42 HydrophobicContact CG2-CB 4.29Å; T24-L55 HydrophobicContact CG2-CD1 3.77Å
25	T	91.8	Very high	89.7	Confident	77 Å²	77	59.3 Å²	59.3	47%	0.472	31%	0.308	S	S	.	.	H	α-helix	trans	-112.7	-12.1	-173.9	69.2	0	0	0	0	114	I21 A27	I21-T25 HydrophobicContact CG2-CG2 4.25Å; I21-T25 WeakPolarHBondContact O-CB 3.43Å; I21-T25 PolarHBondContact O-N 3.47Å; I21-T25 PolarHBondContact O-OG1 3.14Å; T25-A27 PolarHBondContact O-N 3.38Å; T25-A27 PolarHBondContact OG1-N 3.11Å; T25-A27 PolarHBondContact OG1-O 3.17Å
26	N	90	Very high	88.7	Confident	88 Å²	88	61.9 Å²	61.9	47%	0.471	32%	0.322	S	S	.	.	S	Bend	trans	52.8	30.8	-166.8	-55.8	-76.2	0	0	0	112.6	C22 Q162	C22-N26 WeakPolarHBondContact O-CA 3.44Å; C22-N26 PolarHBondContact O-N 2.91Å; N26-Q162 PolarHBondContact O-NE2 3.25Å
27	A	89.1	Confident	87.4	Confident	50 Å²	50	65.6 Å²	65.6	41%	0.413	34%	0.338	S	S	.	.	S	Bend	trans	-139.7	143.7	177.4	0	0	0	0	0	111.3	C22 T25	C22-A27 WeakPolarHBondContact CA-O 3.38Å; C22-A27 PolarHBondContact SG-O 3.48Å; C22-A27 VanDerWaalsContact SG-O 3.35Å; T25-A27 PolarHBondContact O-N 3.38Å; T25-A27 PolarHBondContact OG1-N 3.11Å; T25-A27 PolarHBondContact OG1-O 3.17Å
28	F	88.9	Confident	86.9	Confident	87 Å²	87	67.6 Å²	67.6	38%	0.382	35%	0.348	S	S	.	.			trans	-83.7	131.1	174.8	-170.8	-94.3	0	0	0	110.6	C18 C22 K30 A159 L160	C18-F28 HydrophobicContact CB-CD2 4.48Å; C18-F28 HydrophobicContact CB-CE2 3.83Å; C18-F28 HydrophobicContact CB-CZ 4.41Å; C22-F28 VanDerWaalsContact SG-CA 3.54Å; F28-K30 PolarHBondContact O-N 3.22Å; F28-A159 HydrophobicContact CD2-CB 4.08Å; F28-A159 HydrophobicContact CE2-CB 4.01Å; F28-L160 HydrophobicContact CD1-CD1 4.03Å; F28-L160 HydrophobicContact CD2-CB 4.2Å; F28-L160 HydrophobicContact CD2-CD1 4.38Å; F28-L160 HydrophobicContact CE1-CD1 4.19Å; F28-L160 HydrophobicContact CE2-CB 4.08Å; F28-L160 HydrophobicContact CG-CD1 4.13Å; F28-L160 HydrophobicContact CZ-CD1 4.42Å
29	P	86.4	Confident	86.5	Confident	30 Å²	30	70.1 Å²	70.1	20%	0.195	36%	0.359	C	S	.	.			trans	-66.8	131.8	179.5	27.4	-33.9	0	0	0	110.8	C18 I21	C18-P29 HydrophobicContact CB-CG 4.4Å; I21-P29 HydrophobicContact CD1-CB 4.19Å; I21-P29 HydrophobicContact CD1-CG 4.23Å; I21-P29 HydrophobicContact CG2-CB 4.36Å; I21-P29 HydrophobicContact CG2-CG 4.37Å
30	K	80.7	Confident	86.1	Confident	213 Å²	213	72.3 Å²	72.3	93%	0.926	37%	0.368	S	S	*	.	S	Bend	trans	-80.8	-24	179.9	-66	-174.4	-179.3	179.9	0	113.4	F28	F28-K30 PolarHBondContact O-N 3.22Å
31	E	81.6	Confident	85.9	Confident	158 Å²	158	76 Å²	76	74%	0.738	39%	0.394	S	S	*	.	S	Bend	trans	-113.7	139.1	-178.8	-66.5	179.4	-170.8	0	0	110
32	Y	72.9	Confident	85.8	Confident	137 Å²	137	75.2 Å²	75.2	54%	0.537	39%	0.393	S	S	.	.			trans	-96.2	112.1	174.4	178.2	-106.3	0	0	0	109.8	P34	Y32-P34 HydrophobicContact CD1-CG 4.42Å; Y32-P34 HydrophobicContact CE1-CB 4.49Å; Y32-P34 HydrophobicContact CE1-CG 3.8Å
33	I	80.1	Confident	85.7	Confident	124 Å²	124	82 Å²	82	64%	0.636	42%	0.424	S	S	*	.			trans	-112.2	118.7	171.1	-59.9	172.4	0	0	0	106.7	T35	I33-T35 PolarHBondContact O-N 3.14Å
34	P	77.9	Confident	85.5	Confident	76 Å²	76	81.2 Å²	81.2	49%	0.494	42%	0.423	S	S	.	.			trans	-58.5	124.7	176.2	-23.5	32.3	0	0	0	111.8	Y32	Y32-P34 HydrophobicContact CD1-CG 4.42Å; Y32-P34 HydrophobicContact CE1-CB 4.49Å; Y32-P34 HydrophobicContact CE1-CG 3.8Å
35	T	82.4	Confident	85.5	Confident	22 Å²	22	83.1 Å²	83.1	14%	0.135	44%	0.443	C	S	.	.			trans	-75.3	131.4	178.2	-57	0	0	0	0	111.5	T17 I33 D57 A59	T17-T35 PolarHBondContact OG1-OG1 3.22Å; I33-T35 PolarHBondContact O-N 3.14Å; T35-D57 HydrophobicContact CG2-CB 4.06Å; T35-D57 WeakPolarHBondContact CG2-OD2 3.36Å; T35-D57 PolarHBondContact OG1-OD2 3.49Å; T35-A59 WeakPolarHBondContact O-CA 3.44Å; T35-A59 WeakPolarHBondContact O-CB 3.45Å
36	V	76.5	Confident	85.7	Confident	68 Å²	68	79.7 Å²	79.7	41%	0.412	42%	0.422	S	S	.	.	S	Bend	trans	-89.8	-56.2	160.4	179.4	0	0	0	0	108.7	A59 Y64 L67	V36-A59 WeakPolarHBondContact O-CB 3.33Å; V36-A59 PolarHBondContact O-N 2.96Å; V36-Y64 HydrophobicContact CG1-CD1 4.23Å; V36-Y64 HydrophobicContact CG1-CE1 4.01Å; V36-Y64 HydrophobicContact CG2-CE1 4.21Å; V36-L67 HydrophobicContact CG1-CD2 3.54Å
37	F	71.5	Confident	85.8	Confident	87 Å²	87	79.4 Å²	79.4	38%	0.382	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	138.7	177	-178.8	-105.7	0	0	0	110	N39 W56 D57	F37-N39 VanDerWaalsContact CE1-ND2 3.27Å; F37-N39 WeakPolarHBondContact CE1-ND2 3.23Å; F37-N39 WeakPolarHBondContact CZ-ND2 3.21Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.5Å; F37-W56 HydrophobicContact CE1-CE3 4.4Å; F37-W56 HydrophobicContact CE1-CZ3 4.24Å; F37-W56 HydrophobicContact CE2-CB 4.45Å; F37-W56 HydrophobicContact CE2-CD2 4.23Å; F37-W56 AromaticContact CE2-CE3 3.36Å; F37-W56 HydrophobicContact CE2-CE3 3.36Å; F37-W56 AromaticContact CE2-CZ3 3.85Å; F37-W56 HydrophobicContact CE2-CZ3 3.85Å; F37-W56 AromaticContact CZ-CD2 3.95Å; F37-W56 HydrophobicContact CZ-CD2 3.95Å; F37-W56 AromaticContact CZ-CE3 3.14Å; F37-W56 HydrophobicContact CZ-CE3 3.14Å; F37-W56 HydrophobicContact CZ-CH2 4.2Å; F37-W56 AromaticContact CZ-CZ3 3.28Å; F37-W56 HydrophobicContact CZ-CZ3 3.28Å; F37-D57 WeakPolarHBondContact CD2-O 3.38Å
38	D	86	Confident	85.9	Confident	69 Å²	69	81.2 Å²	81.2	37%	0.369	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	154.9	173	-154	-11.4	0	0	0	111.3	Y40 D57	D38-Y40 HydrophobicContact CB-CE2 3.88Å; D38-Y40 PolarHBondContact OD2-OH 2.84Å; D38-D57 HydrophobicContact CB-CB 4.24Å; D38-D57 PolarHBondContact N-O 3.33Å; D38-D57 PolarHBondContact O-N 3.41Å
39	N	87.4	Confident	86.2	Confident	76 Å²	76	81.5 Å²	81.5	41%	0.406	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	122.1	179.8	-74.8	-43.8	0	0	0	110.9	F37 L55	F37-N39 VanDerWaalsContact CE1-ND2 3.27Å; F37-N39 WeakPolarHBondContact CE1-ND2 3.23Å; F37-N39 WeakPolarHBondContact CZ-ND2 3.21Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.5Å; N39-L55 WeakPolarHBondContact CA-O 3.48Å
40	Y	89.8	Confident	86.6	Confident	47 Å²	47	83.6 Å²	83.6	18%	0.184	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	158.6	173.5	-50.6	-88.8	0	0	0	110.7	L20 I21 D38 L55 D57	L20-Y40 HydrophobicContact CB-CD2 4.22Å; L20-Y40 HydrophobicContact CB-CE2 4.32Å; L20-Y40 HydrophobicContact CD1-CD2 4.36Å; L20-Y40 HydrophobicContact CD1-CE2 4.43Å; I21-Y40 HydrophobicContact CG1-CE1 4.4Å; D38-Y40 HydrophobicContact CB-CE2 3.88Å; D38-Y40 PolarHBondContact OD2-OH 2.84Å; Y40-L55 PolarHBondContact N-O 3.13Å; Y40-L55 PolarHBondContact O-N 3.35Å; Y40-D57 HydrophobicContact CE2-CB 4.15Å
41	S	90.8	Very high	87.4	Confident	77 Å²	77	73.5 Å²	73.5	54%	0.538	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	136.9	175.1	-64.5	0	0	0	0	110.2	L53 N54	S41-L53 WeakPolarHBondContact CA-O 3.23Å; S41-N54 PolarHBondContact OG-OD1 3.49Å
42	A	92.8	Very high	88.1	Confident	21 Å²	21	67.9 Å²	67.9	17%	0.174	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	143.2	175.7	0	0	0	0	0	110.5	Y23 T24 L53	Y23-A42 HydrophobicContact CD1-CB 4.43Å; Y23-A42 HydrophobicContact CE1-CB 3.69Å; T24-A42 HydrophobicContact CG2-CB 4.29Å; A42-L53 PolarHBondContact N-O 3.12Å; A42-L53 WeakPolarHBondContact O-CB 3.39Å; A42-L53 PolarHBondContact O-N 3.19Å
43	Q	93.6	Very high	89.3	Confident	144 Å²	144	61.3 Å²	61.3	67%	0.673	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	132.7	166.9	-68	-172.9	1.6	0	0	109.3	M1 V51	M1-Q43 HydrophobicContact CE-CG 4.05Å; Q43-V51 WeakPolarHBondContact CA-O 3.4Å
44	S	92.1	Very high	90.1	Very high	12 Å²	12	57.4 Å²	57.4	8%	0.084	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	129.2	177.5	-165.4	0	0	0	0	109.7	Y23 T50 V51	Y23-S44 WeakPolarHBondContact OH-CB 3.32Å; Y23-S44 PolarHBondContact OH-OG 3.04Å; S44-T50 WeakPolarHBondContact O-CA 3.38Å; S44-V51 PolarHBondContact N-O 3.33Å; S44-V51 PolarHBondContact O-N 2.9Å
45	A	94.1	Very high	91	Very high	82 Å²	82	53.8 Å²	53.8	68%	0.678	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	110.5	174.7	0	0	0	0	0	108.9	R49	A45-R49 CarbonylContact C-O 3.57Å; A45-R49 WeakPolarHBondContact CA-O 3.38Å
46	V	94.5	Very high	91.7	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.03	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	128	-176.4	179.9	0	0	0	0	109.3	G48 R49 A170 V173 R174	V46-G48 PolarHBondContact O-N 2.94Å; V46-R49 PolarHBondContact N-O 3.44Å; V46-R49 PolarHBondContact O-N 2.89Å; V46-A170 HydrophobicContact CG2-CB 4.16Å; V46-V173 HydrophobicContact CB-CB 4.41Å; V46-V173 HydrophobicContact CB-CG1 3.75Å; V46-V173 HydrophobicContact CG1-CG1 4.23Å; V46-V173 HydrophobicContact CG2-CB 3.95Å; V46-V173 HydrophobicContact CG2-CG1 3.73Å; V46-R174 HydrophobicContact CG1-CB 4.25Å
47	D	92.6	Very high	92.7	Very high	83 Å²	83	52.3 Å²	52.3	44%	0.444	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	43.5	177.9	-52.3	-14.7	0	0	0	112.6	R49 R174 N178	D47-R49 VanDerWaalsContact C-N 3.28Å; D47-R49 PolarHBondContact O-N 2.96Å; D47-R174 IonicContact OD1-CZ 2.87Å; D47-R174 IonicContact OD1-NE 3.83Å; D47-R174 PolarHBondContact OD1-NE 2.74Å; D47-R174 IonicContact OD1-NH2 2.85Å; D47-R174 PolarHBondContact OD1-NH2 2.87Å; D47-R174 IonicContact OD2-CZ 3.21Å; D47-R174 IonicContact OD2-NE 3.6Å; D47-R174 PolarHBondContact OD2-NE 2.81Å; D47-R174 IonicContact OD2-NH2 2.85Å; D47-N178 PolarHBondContact OD2-ND2 3.38Å; D47-N178 VanDerWaalsContact OD2-ND2 3.12Å
48	G	91.9	Very high	93.8	Very high	88 Å²	88	48.2 Å²	48.2	91%	0.907	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	2.8	-180	0	0	0	0	0	115.7	V46	V46-G48 PolarHBondContact O-N 2.94Å
49	R	93.9	Very high	94.2	Very high	93 Å²	93	45 Å²	45	35%	0.351	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133	178.2	-70.7	175.9	-76.8	-175.5	-5.7	111.3	A45 V46 D47 L177 N178	A45-R49 CarbonylContact C-O 3.57Å; A45-R49 WeakPolarHBondContact CA-O 3.38Å; V46-R49 PolarHBondContact N-O 3.44Å; V46-R49 PolarHBondContact O-N 2.89Å; D47-R49 VanDerWaalsContact C-N 3.28Å; D47-R49 PolarHBondContact O-N 2.96Å; R49-L177 HydrophobicContact CB-CD1 4.16Å; R49-L177 PolarHBondContact NH1-O 3.11Å; R49-L177 VanDerWaalsContact NH1-O 3.08Å; R49-N178 PolarHBondContact NH2-OD1 3.19Å
50	T	95.4	Very high	94.4	Very high	73 Å²	73	41.7 Å²	41.7	45%	0.448	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.7	173	-54.2	0	0	0	0	110.5	M1 S44	M1-T50 HydrophobicContact SD-CG2 4.06Å; S44-T50 WeakPolarHBondContact O-CA 3.38Å
51	V	96.8	Very high	94.5	Very high	1 Å²	1	42 Å²	42	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	156.5	179.3	-57.2	0	0	0	0	111	Q2 I4 Q43 S44 V173 L177	Q2-V51 HydrophobicContact CB-CG1 4.33Å; Q2-V51 CarbonylContact O-C 3.59Å; Q2-V51 WeakPolarHBondContact O-CA 3.42Å; Q2-V51 WeakPolarHBondContact O-CB 3.43Å; I4-V51 HydrophobicContact CD1-CB 4.21Å; I4-V51 HydrophobicContact CD1-CG1 4.05Å; I4-V51 HydrophobicContact CD1-CG2 4.1Å; I4-V51 HydrophobicContact CG1-CB 4.48Å; Q43-V51 WeakPolarHBondContact CA-O 3.4Å; S44-V51 PolarHBondContact N-O 3.33Å; S44-V51 PolarHBondContact O-N 2.9Å; V51-V173 HydrophobicContact CG1-CG1 4.47Å; V51-V173 HydrophobicContact CG2-CG1 3.79Å; V51-V173 HydrophobicContact CG2-CG2 3.9Å; V51-L177 HydrophobicContact CG1-CD1 4.11Å; V51-L177 HydrophobicContact CG1-CD2 4.28Å
52	N	96.9	Very high	94.5	Very high	40 Å²	40	44.6 Å²	44.6	21%	0.214	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	112.4	163.3	-168.9	21.5	0	0	0	108.9	M1 Q2 S3 I4 N54	M1-N52 HydrophobicContact CE-CB 3.69Å; Q2-N52 PolarHBondContact O-N 3.17Å; S3-N52 CarbonylContact C-O 3.56Å; S3-N52 WeakPolarHBondContact CA-O 3.43Å; I4-N52 PolarHBondContact N-O 3.23Å; N52-N54 PolarHBondContact ND2-OD1 3.26Å
53	L	97.4	Very high	94.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	109.5	177.6	-174.8	62	0	0	0	109.4	I4 C6 Y23 S41 A42 L55 F169 V173	I4-L53 HydrophobicContact CB-CD1 4.06Å; I4-L53 HydrophobicContact CG2-CD1 3.82Å; C6-L53 HydrophobicContact CB-CD1 3.79Å; Y23-L53 HydrophobicContact CE1-CD2 4.02Å; S41-L53 WeakPolarHBondContact CA-O 3.23Å; A42-L53 PolarHBondContact N-O 3.12Å; A42-L53 WeakPolarHBondContact O-CB 3.39Å; A42-L53 PolarHBondContact O-N 3.19Å; L53-L55 HydrophobicContact CD2-CD2 3.84Å; L53-L55 HydrophobicContact CD2-CG 4.41Å; L53-L55 HydrophobicContact CG-CD2 3.85Å; L53-L55 HydrophobicContact CG-CG 4.15Å; L53-F169 HydrophobicContact CD2-CB 3.87Å; L53-F169 HydrophobicContact CD2-CD1 4.04Å; L53-F169 HydrophobicContact CD2-CG 4.27Å; L53-V173 HydrophobicContact CD1-CG2 4Å; L53-V173 HydrophobicContact CD2-CG2 4.07Å; L53-V173 HydrophobicContact CG-CG2 4.48Å
54	N	97.9	Very high	94.5	Very high	41 Å²	41	48.4 Å²	48.4	22%	0.219	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	118	174.2	-55.5	-64.4	0	0	0	108.7	I4 C6 S41 N52	I4-N54 PolarHBondContact O-N 3.25Å; C6-N54 PolarHBondContact N-O 2.96Å; S41-N54 PolarHBondContact OG-OD1 3.49Å; N52-N54 PolarHBondContact ND2-OD1 3.26Å
55	L	97.4	Very high	94.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122	-172.7	-63.9	164.8	0	0	0	109.7	C6 L20 Y23 T24 N39 Y40 L53 F169	C6-L55 HydrophobicContact CB-CD2 4.03Å; C6-L55 WeakPolarHBondContact O-CA 3.36Å; L20-L55 HydrophobicContact CD2-CB 3.73Å; L20-L55 HydrophobicContact CD2-CD1 3.89Å; L20-L55 HydrophobicContact CD2-CD2 3.78Å; L20-L55 HydrophobicContact CD2-CG 4.01Å; Y23-L55 HydrophobicContact CD1-CD1 3.6Å; Y23-L55 HydrophobicContact CE1-CD1 3.85Å; T24-L55 HydrophobicContact CG2-CD1 3.77Å; N39-L55 WeakPolarHBondContact CA-O 3.48Å; Y40-L55 PolarHBondContact N-O 3.13Å; Y40-L55 PolarHBondContact O-N 3.35Å; L53-L55 HydrophobicContact CD2-CD2 3.84Å; L53-L55 HydrophobicContact CD2-CG 4.41Å; L53-L55 HydrophobicContact CG-CD2 3.85Å; L53-L55 HydrophobicContact CG-CG 4.15Å; L55-F169 HydrophobicContact CD2-CD1 3.57Å; L55-F169 HydrophobicContact CD2-CE1 3.42Å; L55-F169 VanDerWaalsContact CD2-CE1 3.42Å; L55-F169 HydrophobicContact CD2-CZ 4.3Å
56	W	97.5	Very high	94.5	Very high	59 Å²	59	56.8 Å²	56.8	22%	0.223	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	109.5	-178.8	-67.6	57.4	0	0	0	108.4	K5 C6 V7 V8 F37	K5-W56 HydrophobicContact CD-CD2 4.48Å; K5-W56 HydrophobicContact CD-CZ2 4.34Å; K5-W56 VanDerWaalsContact CE-CE2 3.45Å; K5-W56 HydrophobicContact CG-CG 4.48Å; C6-W56 PolarHBondContact O-N 2.98Å; V7-W56 HydrophobicContact CB-CB 4.33Å; V7-W56 HydrophobicContact CG1-CB 4.37Å; V7-W56 HydrophobicContact CG2-CB 3.88Å; V7-W56 HydrophobicContact CG2-CG 4.12Å; V8-W56 PolarHBondContact N-O 3.08Å; F37-W56 HydrophobicContact CE1-CE3 4.4Å; F37-W56 HydrophobicContact CE1-CZ3 4.24Å; F37-W56 HydrophobicContact CE2-CB 4.45Å; F37-W56 HydrophobicContact CE2-CD2 4.23Å; F37-W56 AromaticContact CE2-CE3 3.36Å; F37-W56 HydrophobicContact CE2-CE3 3.36Å; F37-W56 AromaticContact CE2-CZ3 3.85Å; F37-W56 HydrophobicContact CE2-CZ3 3.85Å; F37-W56 AromaticContact CZ-CD2 3.95Å; F37-W56 HydrophobicContact CZ-CD2 3.95Å; F37-W56 AromaticContact CZ-CE3 3.14Å; F37-W56 HydrophobicContact CZ-CE3 3.14Å; F37-W56 HydrophobicContact CZ-CH2 4.2Å; F37-W56 AromaticContact CZ-CZ3 3.28Å; F37-W56 HydrophobicContact CZ-CZ3 3.28Å
57	D	96.1	Very high	94.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	134.4	172.4	-162.6	15.2	0	0	0	109.7	T17 L20 T35 F37 D38 Y40	T17-D57 WeakPolarHBondContact CA-OD2 3.42Å; T17-D57 VanDerWaalsContact CB-OD2 3.24Å; T17-D57 WeakPolarHBondContact CB-OD2 3.37Å; T17-D57 VanDerWaalsContact CG2-OD2 3.32Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.2Å; T17-D57 PolarHBondContact OG1-OD2 3.46Å; L20-D57 HydrophobicContact CD1-CB 3.38Å; T35-D57 HydrophobicContact CG2-CB 4.06Å; T35-D57 WeakPolarHBondContact CG2-OD2 3.36Å; T35-D57 PolarHBondContact OG1-OD2 3.49Å; F37-D57 WeakPolarHBondContact CD2-O 3.38Å; D38-D57 HydrophobicContact CB-CB 4.24Å; D38-D57 PolarHBondContact N-O 3.33Å; D38-D57 PolarHBondContact O-N 3.41Å; Y40-D57 HydrophobicContact CE2-CB 4.15Å
58	T	96	Very high	94.5	Very high	1 Å²	1	57 Å²	57	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147	-175.3	70.5	0	0	0	0	112.3	V7 V8 K16 R68	V7-T58 HydrophobicContact CG1-CG2 3.86Å; V8-T58 PolarHBondContact O-OG1 3.06Å; K16-T58 WeakPolarHBondContact CE-O 3.46Å; K16-T58 PolarHBondContact NZ-O 2.94Å; T58-R68 HydrophobicContact CG2-CG 4.18Å
59	A	93.4	Very high	94.7	Very high	2 Å²	2	54.5 Å²	54.5	2%	0.017	25%	0.251	C	S	.	.			trans	-60.1	136.6	170.4	0	0	0	0	0	111.6	T35 V36 Y64 R68	T35-A59 WeakPolarHBondContact O-CA 3.44Å; T35-A59 WeakPolarHBondContact O-CB 3.45Å; V36-A59 WeakPolarHBondContact O-CB 3.33Å; V36-A59 PolarHBondContact O-N 2.96Å; A59-Y64 HydrophobicContact CB-CD2 3.53Å; A59-Y64 HydrophobicContact CB-CE2 4.38Å; A59-Y64 HydrophobicContact CB-CG 3.61Å; A59-R68 WeakPolarHBondContact O-CD 3.39Å; A59-R68 PolarHBondContact O-NH1 2.89Å
60	G	92.2	Very high	94.8	Very high	7 Å²	7	56 Å²	56	7%	0.072	27%	0.266	C	S	.	.			trans	-97.1	-4.2	178.8	0	0	0	0	0	114.5	G10 G12	G10-G60 WeakPolarHBondContact O-CA 3.24Å; G12-G60 PolarHBondContact N-O 3.26Å
61	Q	91.8	Very high	94.8	Very high	52 Å²	52	52.7 Å²	52.7	24%	0.243	25%	0.246	C	C	.	.	S	Bend	trans	-87.6	151.1	-177.9	-50.3	79.4	-14	0	0	110.6	E63 Y64 R68	Q61-E63 VanDerWaalsContact C-N 3.29Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.48Å; Q61-E63 PolarHBondContact O-N 2.91Å; Q61-Y64 HydrophobicContact CB-CD2 4.04Å; Q61-Y64 HydrophobicContact CB-CE2 4.46Å; Q61-Y64 PolarHBondContact O-N 3.42Å; Q61-R68 PolarHBondContact O-NH1 3.42Å
62	E	89.9	Confident	94.8	Very high	132 Å²	132	52.8 Å²	52.8	62%	0.617	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-71	-28.3	-170.6	-51.7	-153.9	124.1	0	0	112.7	Y64 D65 K96	E62-Y64 PolarHBondContact O-N 2.95Å; E62-D65 VanDerWaalsContact CA-OD1 3.29Å; E62-D65 WeakPolarHBondContact CA-OD1 3.24Å; E62-D65 WeakPolarHBondContact O-CB 3.38Å; E62-D65 PolarHBondContact O-N 3.45Å; E62-K96 IonicContact OE1-NZ 3.81Å; E62-K96 PolarHBondContact OE1-NZ 3.2Å
63	E	93.1	Very high	94.8	Very high	160 Å²	160	54.6 Å²	54.6	75%	0.748	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-61.1	-20.2	177.3	-56.4	81.6	-178.8	0	0	112	Q61	Q61-E63 VanDerWaalsContact C-N 3.29Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.48Å; Q61-E63 PolarHBondContact O-N 2.91Å
64	Y	92.8	Very high	94.8	Very high	86 Å²	86	63.1 Å²	63.1	34%	0.337	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-102.6	8.7	178.6	-59.7	-72.2	0	0	0	114	V36 A59 Q61 E62 R66 L67 R68	V36-Y64 HydrophobicContact CG1-CD1 4.23Å; V36-Y64 HydrophobicContact CG1-CE1 4.01Å; V36-Y64 HydrophobicContact CG2-CE1 4.21Å; A59-Y64 HydrophobicContact CB-CD2 3.53Å; A59-Y64 HydrophobicContact CB-CE2 4.38Å; A59-Y64 HydrophobicContact CB-CG 3.61Å; Q61-Y64 HydrophobicContact CB-CD2 4.04Å; Q61-Y64 HydrophobicContact CB-CE2 4.46Å; Q61-Y64 PolarHBondContact O-N 3.42Å; E62-Y64 PolarHBondContact O-N 2.95Å; Y64-R66 VanDerWaalsContact C-N 3.32Å; Y64-R66 PolarHBondContact O-N 2.97Å; Y64-L67 HydrophobicContact CD1-CD2 4.01Å; Y64-L67 PolarHBondContact O-N 3.15Å; Y64-L67 VanDerWaalsContact O-N 3.08Å; Y64-R68 WeakPolarHBondContact O-CB 3.45Å; Y64-R68 PolarHBondContact O-N 2.88Å
65	D	92.6	Very high	94.8	Very high	47 Å²	47	61.6 Å²	61.6	25%	0.251	29%	0.292	S	S	.	.	H	α-helix	trans	-51.9	-48.7	-177.2	-76.8	0.1	0	0	0	111.8	E62 L67 R68 T69 K96	E62-D65 VanDerWaalsContact CA-OD1 3.29Å; E62-D65 WeakPolarHBondContact CA-OD1 3.24Å; E62-D65 WeakPolarHBondContact O-CB 3.38Å; E62-D65 PolarHBondContact O-N 3.45Å; D65-L67 PolarHBondContact O-N 2.86Å; D65-R68 PolarHBondContact O-N 3.12Å; D65-R68 IonicContact OD1-CZ 3.58Å; D65-R68 IonicContact OD1-NH1 3.89Å; D65-R68 PolarHBondContact OD1-NH1 3.32Å; D65-R68 IonicContact OD1-NH2 3.73Å; D65-R68 PolarHBondContact OD1-NH2 2.69Å; D65-T69 WeakPolarHBondContact O-CG2 3.37Å; D65-T69 PolarHBondContact O-N 3.27Å; D65-K96 IonicContact OD1-NZ 2.97Å; D65-K96 PolarHBondContact OD1-NZ 3.31Å; D65-K96 IonicContact OD2-NZ 3.76Å; D65-K96 PolarHBondContact OD2-NZ 2.87Å
66	R	93.6	Very high	94.9	Very high	223 Å²	223	64.5 Å²	64.5	84%	0.842	31%	0.308	S	S	*	.	H	α-helix	trans	-64.1	-44.2	178.2	-66.4	-175.9	-178.2	179.7	0.8	112.6	Y64 T69	Y64-R66 VanDerWaalsContact C-N 3.32Å; Y64-R66 PolarHBondContact O-N 2.97Å; R66-T69 PolarHBondContact O-N 3.24Å; R66-T69 PolarHBondContact O-OG1 3.32Å
67	L	92.4	Very high	94.9	Very high	83 Å²	83	61.7 Å²	61.7	44%	0.435	30%	0.297	S	S	.	.	H	α-helix	trans	-65.3	-41.1	-178.6	-175.4	66.1	0	0	0	111.3	V36 Y64 D65 T69 L70	V36-L67 HydrophobicContact CG1-CD2 3.54Å; Y64-L67 HydrophobicContact CD1-CD2 4.01Å; Y64-L67 PolarHBondContact O-N 3.15Å; Y64-L67 VanDerWaalsContact O-N 3.08Å; D65-L67 PolarHBondContact O-N 2.86Å; L67-T69 VanDerWaalsContact C-N 3.32Å; L67-T69 PolarHBondContact O-N 3.31Å; L67-L70 HydrophobicContact CD1-CD1 4.05Å; L67-L70 VanDerWaalsContact O-CB 3.32Å; L67-L70 WeakPolarHBondContact O-CB 3.27Å; L67-L70 WeakPolarHBondContact O-CG 3.41Å; L67-L70 PolarHBondContact O-N 3.15Å
68	R	96.3	Very high	95	Very high	8 Å²	8	61.7 Å²	61.7	3%	0.03	30%	0.297	C	S	.	.	H	α-helix	trans	-58.6	-41.7	179.2	176.4	171.6	60.8	-116.3	3.5	111.9	T58 A59 Q61 Y64 D65 L70 S71 Y72 E100	T58-R68 HydrophobicContact CG2-CG 4.18Å; A59-R68 WeakPolarHBondContact O-CD 3.39Å; A59-R68 PolarHBondContact O-NH1 2.89Å; Q61-R68 PolarHBondContact O-NH1 3.42Å; Y64-R68 WeakPolarHBondContact O-CB 3.45Å; Y64-R68 PolarHBondContact O-N 2.88Å; D65-R68 PolarHBondContact O-N 3.12Å; D65-R68 IonicContact OD1-CZ 3.58Å; D65-R68 IonicContact OD1-NH1 3.89Å; D65-R68 PolarHBondContact OD1-NH1 3.32Å; D65-R68 IonicContact OD1-NH2 3.73Å; D65-R68 PolarHBondContact OD1-NH2 2.69Å; R68-L70 PolarHBondContact O-N 3.14Å; R68-L70 VanDerWaalsContact O-N 3.12Å; R68-S71 WeakPolarHBondContact O-CB 3.4Å; R68-S71 PolarHBondContact O-N 3.01Å; R68-S71 PolarHBondContact O-OG 2.69Å; R68-Y72 WeakPolarHBondContact CD-OH 3.47Å; R68-Y72 HydrophobicContact CG-CE1 4.02Å; R68-Y72 WeakPolarHBondContact CG-OH 3.44Å; R68-Y72 PolarHBondContact NE-OH 3.27Å; R68-E100 IonicContact CZ-OE1 2.72Å; R68-E100 IonicContact CZ-OE2 2.91Å; R68-E100 IonicContact NE-OE1 2.96Å; R68-E100 PolarHBondContact NE-OE1 3.47Å; R68-E100 IonicContact NE-OE2 2.68Å; R68-E100 IonicContact NH2-OE1 3.32Å; R68-E100 PolarHBondContact NH2-OE1 3.35Å; R68-E100 VanDerWaalsContact NH2-OE1 3.17Å; R68-E100 IonicContact NH2-OE2 3.95Å; R68-E100 PolarHBondContact NH2-OE2 3.01Å
69	T	95.1	Very high	95.2	Very high	36 Å²	36	61.7 Å²	61.7	22%	0.221	30%	0.297	C	S	.	.	H	α-helix	trans	-62.6	-21.2	-178.9	64.6	0	0	0	0	113.8	D65 R66 L67 S71 Y72 H104	D65-T69 WeakPolarHBondContact O-CG2 3.37Å; D65-T69 PolarHBondContact O-N 3.27Å; R66-T69 PolarHBondContact O-N 3.24Å; R66-T69 PolarHBondContact O-OG1 3.32Å; L67-T69 VanDerWaalsContact C-N 3.32Å; L67-T69 PolarHBondContact O-N 3.31Å; T69-S71 PolarHBondContact O-N 2.9Å; T69-Y72 HydrophobicContact CG2-CD2 4.21Å; T69-Y72 HydrophobicContact CG2-CE2 3.88Å; T69-Y72 WeakPolarHBondContact O-CB 3.28Å; T69-Y72 PolarHBondContact O-N 3.24Å; T69-Y72 VanDerWaalsContact O-N 3.09Å; T69-H104 WeakPolarHBondContact CG2-NE2 3.4Å
70	L	95.3	Very high	95.4	Very high	126 Å²	126	61.6 Å²	61.6	66%	0.66	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.2	173.2	-55.9	-175.9	0	0	0	112.8	L67 R68 P73	L67-L70 HydrophobicContact CD1-CD1 4.05Å; L67-L70 VanDerWaalsContact O-CB 3.32Å; L67-L70 WeakPolarHBondContact O-CB 3.27Å; L67-L70 WeakPolarHBondContact O-CG 3.41Å; L67-L70 PolarHBondContact O-N 3.15Å; R68-L70 PolarHBondContact O-N 3.14Å; R68-L70 VanDerWaalsContact O-N 3.12Å; L70-P73 WeakPolarHBondContact O-CD 3.42Å
71	S	95.8	Very high	95.7	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.021	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-15	174.4	69.3	0	0	0	0	114	K5 R68 T69	K5-S71 WeakPolarHBondContact CE-O 3.36Å; K5-S71 PolarHBondContact NZ-O 3.11Å; R68-S71 WeakPolarHBondContact O-CB 3.4Å; R68-S71 PolarHBondContact O-N 3.01Å; R68-S71 PolarHBondContact O-OG 2.69Å; T69-S71 PolarHBondContact O-N 2.9Å
72	Y	97.8	Very high	96.1	Very high	3 Å²	3	58.8 Å²	58.8	1%	0.012	28%	0.281	C	S	.	.			trans	-78.3	-32.2	-168.8	-63	-9.9	0	0	0	116.6	V7 V9 R68 T69 Q74 T75 F78 E100 H104	V7-Y72 HydrophobicContact CG1-CD1 4.16Å; V7-Y72 HydrophobicContact CG1-CE1 4.07Å; V9-Y72 HydrophobicContact CG1-CE1 3.97Å; R68-Y72 WeakPolarHBondContact CD-OH 3.47Å; R68-Y72 HydrophobicContact CG-CE1 4.02Å; R68-Y72 WeakPolarHBondContact CG-OH 3.44Å; R68-Y72 PolarHBondContact NE-OH 3.27Å; T69-Y72 HydrophobicContact CG2-CD2 4.21Å; T69-Y72 HydrophobicContact CG2-CE2 3.88Å; T69-Y72 WeakPolarHBondContact O-CB 3.28Å; T69-Y72 PolarHBondContact O-N 3.24Å; T69-Y72 VanDerWaalsContact O-N 3.09Å; Y72-Q74 PolarHBondContact O-N 3.49Å; Y72-T75 VanDerWaalsContact O-CB 3.31Å; Y72-T75 WeakPolarHBondContact O-CB 3.26Å; Y72-T75 PolarHBondContact O-N 3.41Å; Y72-T75 VanDerWaalsContact O-N 3.13Å; Y72-T75 PolarHBondContact O-OG1 3.35Å; Y72-F78 AromaticContact CD1-CE1 3.62Å; Y72-F78 HydrophobicContact CD1-CE1 3.62Å; Y72-F78 AromaticContact CD1-CZ 3.85Å; Y72-F78 HydrophobicContact CD1-CZ 3.85Å; Y72-F78 AromaticContact CE1-CE1 3.74Å; Y72-F78 HydrophobicContact CE1-CE1 3.74Å; Y72-F78 HydrophobicContact CE1-CZ 4.36Å; Y72-F78 HydrophobicContact CG-CE1 4.23Å; Y72-F78 HydrophobicContact CG-CZ 4.02Å; Y72-E100 HydrophobicContact CE2-CG 4.22Å; Y72-E100 PolarHBondContact OH-OE1 3.44Å; Y72-H104 HydrophobicContact CD2-CB 3.64Å; Y72-H104 AromaticContact CD2-CD2 3.96Å; Y72-H104 AromaticContact CD2-CG 3.81Å; Y72-H104 HydrophobicContact CE2-CB 4.34Å; Y72-H104 AromaticContact CE2-CD2 3.98Å
73	P	97.4	Very high	96.5	Very high	78 Å²	78	52.8 Å²	52.8	51%	0.506	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	135.9	179.8	-29.4	36.6	0	0	0	112.7	K5 L70 T75	K5-P73 PolarHBondContact NZ-O 2.98Å; L70-P73 WeakPolarHBondContact O-CD 3.42Å; P73-T75 PolarHBondContact O-N 3.36Å
74	Q	96.4	Very high	96.8	Very high	178 Å²	178	45.1 Å²	45.1	83%	0.832	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	20.7	179	-51.5	175.8	-52.6	0	0	115	Y72 N76	Y72-Q74 PolarHBondContact O-N 3.49Å; Q74-N76 PolarHBondContact O-N 2.89Å
75	T	98.3	Very high	97	Very high	10 Å²	10	41.2 Å²	41.2	6%	0.061	20%	0.203	C	C	.	.			trans	-65.8	132.9	173.6	-59.5	0	0	0	0	110.6	V7 Y72 P73 V77 F78 V108	V7-T75 HydrophobicContact CB-CG2 4.01Å; V7-T75 HydrophobicContact CG2-CG2 3.66Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.48Å; Y72-T75 VanDerWaalsContact O-CB 3.31Å; Y72-T75 WeakPolarHBondContact O-CB 3.26Å; Y72-T75 PolarHBondContact O-N 3.41Å; Y72-T75 VanDerWaalsContact O-N 3.13Å; Y72-T75 PolarHBondContact O-OG1 3.35Å; P73-T75 PolarHBondContact O-N 3.36Å; T75-V77 WeakPolarHBondContact CG2-O 3.34Å; T75-F78 HydrophobicContact CG2-CD1 4.35Å; T75-F78 HydrophobicContact CG2-CD2 3.79Å; T75-F78 HydrophobicContact CG2-CE1 4.13Å; T75-F78 HydrophobicContact CG2-CE2 3.51Å; T75-F78 HydrophobicContact CG2-CG 4.2Å; T75-F78 HydrophobicContact CG2-CZ 3.7Å; T75-V108 HydrophobicContact CG2-CG1 4.15Å; T75-V108 WeakPolarHBondContact O-CG2 3.39Å
76	N	98.3	Very high	97.3	Very high	61 Å²	61	40.8 Å²	40.8	33%	0.326	20%	0.204	S	C	.	.	S	Bend	trans	-94.2	-28	177.4	-59.2	120.8	0	0	0	112.5	I4 K5 Q74 P109 V176	I4-N76 WeakPolarHBondContact CA-OD1 3.5Å; I4-N76 HydrophobicContact CG2-CB 3.98Å; K5-N76 PolarHBondContact N-OD1 3.32Å; K5-N76 WeakPolarHBondContact O-CB 3.45Å; K5-N76 PolarHBondContact O-N 2.93Å; Q74-N76 PolarHBondContact O-N 2.89Å; N76-P109 WeakPolarHBondContact O-CD 3.37Å; N76-P109 WeakPolarHBondContact O-CG 3.49Å; N76-V176 HydrophobicContact CB-CG1 4.13Å; N76-V176 HydrophobicContact CB-CG2 3.92Å; N76-V176 WeakPolarHBondContact O-CG2 3.27Å
77	V	98.6	Very high	97.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	142.5	178.2	60.4	0	0	0	0	110.5	I4 K5 C6 V7 T75 P109 L111 A172 V176	I4-V77 HydrophobicContact CG2-CG1 4.25Å; K5-V77 PolarHBondContact O-N 3.36Å; C6-V77 WeakPolarHBondContact CA-O 3.45Å; C6-V77 HydrophobicContact CB-CG1 3.75Å; V7-V77 PolarHBondContact N-O 2.72Å; V7-V77 VanDerWaalsContact N-O 3.11Å; T75-V77 WeakPolarHBondContact CG2-O 3.34Å; V77-P109 HydrophobicContact CB-CG 4.31Å; V77-P109 HydrophobicContact CG2-CG 4.3Å; V77-L111 HydrophobicContact CG2-CD1 3.53Å; V77-A172 HydrophobicContact CG1-CB 4.1Å; V77-A172 HydrophobicContact CG2-CB 4.24Å; V77-V176 HydrophobicContact CB-CG2 3.77Å; V77-V176 HydrophobicContact CG1-CG2 4.03Å
78	F	98.8	Very high	97.9	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	143.4	170.5	-77.2	-86.2	0	0	0	111.2	V7 V9 Y72 T75 V101 C105 V108 P109 I110 L111	V7-F78 HydrophobicContact CB-CD1 3.83Å; V7-F78 HydrophobicContact CB-CE1 3.7Å; V7-F78 HydrophobicContact CG1-CD1 4.13Å; V7-F78 HydrophobicContact CG1-CE1 3.82Å; V7-F78 HydrophobicContact CG2-CE1 4.37Å; V7-F78 WeakPolarHBondContact O-CA 3.22Å; V9-F78 HydrophobicContact CG1-CD1 4.44Å; Y72-F78 AromaticContact CD1-CE1 3.62Å; Y72-F78 HydrophobicContact CD1-CE1 3.62Å; Y72-F78 AromaticContact CD1-CZ 3.85Å; Y72-F78 HydrophobicContact CD1-CZ 3.85Å; Y72-F78 AromaticContact CE1-CE1 3.74Å; Y72-F78 HydrophobicContact CE1-CE1 3.74Å; Y72-F78 HydrophobicContact CE1-CZ 4.36Å; Y72-F78 HydrophobicContact CG-CE1 4.23Å; Y72-F78 HydrophobicContact CG-CZ 4.02Å; T75-F78 HydrophobicContact CG2-CD1 4.35Å; T75-F78 HydrophobicContact CG2-CD2 3.79Å; T75-F78 HydrophobicContact CG2-CE1 4.13Å; T75-F78 HydrophobicContact CG2-CE2 3.51Å; T75-F78 HydrophobicContact CG2-CG 4.2Å; T75-F78 HydrophobicContact CG2-CZ 3.7Å; F78-V101 HydrophobicContact CB-CG1 4.16Å; F78-V101 HydrophobicContact CD1-CG1 4.11Å; F78-V101 HydrophobicContact CD1-CG2 3.9Å; F78-V101 HydrophobicContact CD2-CG1 3.5Å; F78-V101 VanDerWaalsContact CD2-CG1 3.5Å; F78-V101 HydrophobicContact CE1-CG1 4.39Å; F78-V101 HydrophobicContact CE1-CG2 4.16Å; F78-V101 HydrophobicContact CE2-CG1 3.85Å; F78-V101 HydrophobicContact CG-CG1 3.65Å; F78-V101 HydrophobicContact CG-CG2 4.21Å; F78-V101 HydrophobicContact CZ-CG1 4.27Å; F78-C105 HydrophobicContact CE2-CB 3.53Å; F78-C105 HydrophobicContact CZ-CB 4.1Å; F78-V108 HydrophobicContact CD2-CB 3.96Å; F78-V108 HydrophobicContact CD2-CG1 3.49Å; F78-V108 VanDerWaalsContact CD2-CG1 3.49Å; F78-V108 HydrophobicContact CE2-CB 4.02Å; F78-V108 HydrophobicContact CE2-CG1 3.8Å; F78-V108 HydrophobicContact CE2-CG2 4.4Å; F78-P109 PolarHBondContact N-O 3.01Å; F78-I110 HydrophobicContact CB-CG1 4.29Å; F78-L111 PolarHBondContact O-N 2.78Å
79	V	98.8	Very high	98	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	111.3	165.1	177.4	0	0	0	0	107.7	V7 V8 V9 L111 V113 V168 A172	V7-V79 PolarHBondContact O-N 3.01Å; V8-V79 WeakPolarHBondContact CA-O 3.44Å; V8-V79 HydrophobicContact CG1-CB 4.28Å; V8-V79 HydrophobicContact CG1-CG1 4.25Å; V8-V79 HydrophobicContact CG2-CB 4.23Å; V9-V79 PolarHBondContact N-O 3.03Å; V79-L111 HydrophobicContact CG2-CB 4.38Å; V79-V113 HydrophobicContact CG1-CB 4.05Å; V79-V113 HydrophobicContact CG1-CG2 3.53Å; V79-V168 HydrophobicContact CG1-CG1 4.43Å; V79-A172 HydrophobicContact CG2-CB 4.45Å
80	I	98.9	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	115.5	173.3	-56.4	-179.6	0	0	0	108.2	V9 V93 W97 H98 V101 I110 L111 V113	V9-I80 HydrophobicContact CG2-CB 4.32Å; V9-I80 HydrophobicContact CG2-CG1 3.74Å; V9-I80 HydrophobicContact CG2-CG2 4.45Å; I80-V93 HydrophobicContact CG2-CG1 4.04Å; I80-V93 HydrophobicContact CG2-CG2 4.03Å; I80-W97 HydrophobicContact CD1-CB 4.39Å; I80-W97 HydrophobicContact CG2-CB 3.65Å; I80-W97 HydrophobicContact CG2-CG 4.25Å; I80-H98 HydrophobicContact CD1-CB 4.29Å; I80-V101 HydrophobicContact CD1-CG2 4.27Å; I80-V101 HydrophobicContact CG1-CG2 4.49Å; I80-I110 HydrophobicContact CB-CG2 4.49Å; I80-I110 HydrophobicContact CD1-CD1 4.35Å; I80-I110 HydrophobicContact CD1-CG2 3.6Å; I80-I110 HydrophobicContact CG1-CG2 3.8Å; I80-L111 PolarHBondContact N-O 2.96Å; I80-V113 PolarHBondContact O-N 2.8Å
81	C	98.9	Very high	98.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139.6	-178.6	-70.3	0	0	0	0	111.8	V9 G10 V14 K16 V113 T115	V9-C81 PolarHBondContact O-N 3.43Å; G10-C81 WeakPolarHBondContact CA-O 3.36Å; V14-C81 HydrophobicContact CG2-CB 3.93Å; K16-C81 HydrophobicContact CG-CB 3.97Å; C81-V113 WeakPolarHBondContact CA-O 3.26Å; C81-T115 HydrophobicContact CB-CG2 4.11Å
82	F	98.9	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	158.7	161	71.2	-88.4	0	0	0	109.3	I84 S89 Y90 V93 L112 V113 G114 T115 I137 Y154	F82-I84 HydrophobicContact CE2-CG1 4.37Å; F82-S89 WeakPolarHBondContact CB-O 3.5Å; F82-Y90 HydrophobicContact CD2-CD2 4.19Å; F82-Y90 HydrophobicContact CE1-CD2 4.25Å; F82-Y90 AromaticContact CE2-CD2 3.88Å; F82-Y90 HydrophobicContact CE2-CD2 3.88Å; F82-Y90 AromaticContact CZ-CD2 3.89Å; F82-Y90 HydrophobicContact CZ-CD2 3.89Å; F82-V93 HydrophobicContact CB-CG2 3.98Å; F82-V93 HydrophobicContact CD1-CG2 4.18Å; F82-V93 HydrophobicContact CG-CG2 4.43Å; F82-L112 HydrophobicContact CD1-CD1 3.79Å; F82-L112 HydrophobicContact CD1-CG 4.31Å; F82-L112 HydrophobicContact CE1-CD1 3.92Å; F82-L112 HydrophobicContact CE1-CD2 4.17Å; F82-L112 HydrophobicContact CE1-CG 3.92Å; F82-V113 PolarHBondContact N-O 2.64Å; F82-G114 CarbonylContact O-C 3.57Å; F82-G114 WeakPolarHBondContact O-CA 3.15Å; F82-T115 PolarHBondContact O-N 3.3Å; F82-T115 PolarHBondContact O-OG1 2.9Å; F82-I137 HydrophobicContact CD2-CG1 4.47Å; F82-I137 HydrophobicContact CE2-CB 3.94Å; F82-I137 HydrophobicContact CE2-CG1 4.03Å; F82-I137 HydrophobicContact CE2-CG2 3.73Å; F82-I137 HydrophobicContact CZ-CG2 4.05Å; F82-Y154 AromaticContact CE1-CE2 3.8Å; F82-Y154 HydrophobicContact CE1-CE2 3.8Å; F82-Y154 AromaticContact CZ-CE2 3.85Å; F82-Y154 HydrophobicContact CZ-CE2 3.85Å
83	S	98.8	Very high	98.5	Very high	6 Å²	6	29.1 Å²	29.1	4%	0.042	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.8	176.9	167.4	0	0	0	0	110.7	A85 S86 S89 T115	S83-A85 PolarHBondContact O-N 3.13Å; S83-A85 VanDerWaalsContact O-N 3.13Å; S83-A85 PolarHBondContact OG-N 2.66Å; S83-S86 CarbonylContact O-C 3.53Å; S83-S86 PolarHBondContact O-N 3.09Å; S83-S89 PolarHBondContact N-OG 2.8Å; S83-T115 WeakPolarHBondContact CA-OG1 3.2Å
84	I	98.8	Very high	98.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.9	176.1	-75.3	161.6	0	0	0	111.8	F82 S86 G114 T115 K117 R120 P136 I137 E156	F82-I84 HydrophobicContact CE2-CG1 4.37Å; I84-S86 VanDerWaalsContact C-N 3.35Å; I84-G114 WeakPolarHBondContact CD1-O 3.45Å; I84-T115 WeakPolarHBondContact CB-O 3.39Å; I84-T115 PolarHBondContact N-O 3.37Å; I84-K117 VanDerWaalsContact CD1-CA 3.44Å; I84-K117 HydrophobicContact CD1-CB 3.73Å; I84-K117 HydrophobicContact CD1-CG 4.18Å; I84-R120 VanDerWaalsContact CD1-NH2 3.31Å; I84-R120 HydrophobicContact CG2-CB 3.92Å; I84-R120 HydrophobicContact CG2-CG 4.43Å; I84-P136 HydrophobicContact CG2-CB 4.23Å; I84-P136 WeakPolarHBondContact O-CA 3.35Å; I84-I137 PolarHBondContact O-N 2.67Å; I84-E156 HydrophobicContact CD1-CB 4.13Å; I84-E156 HydrophobicContact CD1-CG 4Å
85	A	98.3	Very high	98.6	Very high	3 Å²	3	28.1 Å²	28.1	3%	0.025	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	9.2	177.4	0	0	0	0	0	114.8	S83 L119 T125 R128	S83-A85 PolarHBondContact O-N 3.13Å; S83-A85 VanDerWaalsContact O-N 3.13Å; S83-A85 PolarHBondContact OG-N 2.66Å; A85-L119 HydrophobicContact CB-CB 3.71Å; A85-L119 HydrophobicContact CB-CD1 3.64Å; A85-L119 HydrophobicContact CB-CG 4.35Å; A85-T125 HydrophobicContact CB-CG2 3.63Å; A85-R128 PolarHBondContact O-NH2 3.35Å; A85-R128 VanDerWaalsContact O-NH2 3.09Å
86	S	98.6	Very high	98.6	Very high	39 Å²	39	29.2 Å²	29.2	27%	0.273	15%	0.147	S	C	.	.			trans	-134.6	88	179	-177.5	0	0	0	0	110.8	S83 I84 P88 S89 Y90	S83-S86 CarbonylContact O-C 3.53Å; S83-S86 PolarHBondContact O-N 3.09Å; I84-S86 VanDerWaalsContact C-N 3.35Å; S86-P88 VanDerWaalsContact C-CD 3.41Å; S86-P88 VanDerWaalsContact C-N 3.3Å; S86-S89 WeakPolarHBondContact CB-OG 3.43Å; S86-S89 PolarHBondContact O-N 2.91Å; S86-S89 PolarHBondContact O-OG 3.42Å; S86-Y90 PolarHBondContact O-N 2.68Å
87	P	98.5	Very high	98.6	Very high	17 Å²	17	26.3 Å²	26.3	11%	0.11	13%	0.131	C	C	.	.	H	α-helix	trans	-53.3	-37	174.3	-27.7	37.6	0	0	0	115	S89 Y90 E91 L129 Q134 A135 I137	P87-S89 VanDerWaalsContact C-N 3.31Å; P87-S89 PolarHBondContact O-N 2.97Å; P87-Y90 WeakPolarHBondContact O-CB 3.41Å; P87-Y90 PolarHBondContact O-N 3.11Å; P87-Y90 VanDerWaalsContact O-N 3.13Å; P87-E91 PolarHBondContact O-N 3.06Å; P87-E91 VanDerWaalsContact O-N 3.12Å; P87-L129 HydrophobicContact CG-CD2 4.22Å; P87-Q134 HydrophobicContact CG-CB 4.19Å; P87-A135 VanDerWaalsContact CG-O 3.3Å; P87-A135 WeakPolarHBondContact CG-O 3.43Å; P87-I137 HydrophobicContact CB-CD1 4.14Å; P87-I137 HydrophobicContact CG-CD1 4.29Å
88	P	98.4	Very high	98.6	Very high	62 Å²	62	28.4 Å²	28.4	40%	0.403	14%	0.141	S	C	.	.	H	α-helix	trans	-57.5	-41.3	172.6	-27	36.4	0	0	0	113.4	S86 Y90 E91 N92	S86-P88 VanDerWaalsContact C-CD 3.41Å; S86-P88 VanDerWaalsContact C-N 3.3Å; P88-Y90 PolarHBondContact O-N 2.87Å; P88-E91 PolarHBondContact O-N 3.26Å; P88-N92 VanDerWaalsContact O-CG 3.29Å; P88-N92 PolarHBondContact O-N 2.87Å; P88-N92 PolarHBondContact O-ND2 2.85Å
89	S	98.8	Very high	98.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.007	16%	0.159	C	C	.	.	H	α-helix	trans	-66.6	-28	178.6	72.7	0	0	0	0	113.4	D11 F82 S83 S86 P87	D11-S89 VanDerWaalsContact OD2-CA 3.26Å; D11-S89 WeakPolarHBondContact OD2-CA 3.42Å; D11-S89 WeakPolarHBondContact OD2-CB 3.38Å; F82-S89 WeakPolarHBondContact CB-O 3.5Å; S83-S89 PolarHBondContact N-OG 2.8Å; S86-S89 WeakPolarHBondContact CB-OG 3.43Å; S86-S89 PolarHBondContact O-N 2.91Å; S86-S89 PolarHBondContact O-OG 3.42Å; P87-S89 VanDerWaalsContact C-N 3.31Å; P87-S89 PolarHBondContact O-N 2.97Å
90	Y	98.8	Very high	98.5	Very high	17 Å²	17	32.5 Å²	32.5	7%	0.067	17%	0.165	C	C	.	.	H	α-helix	trans	-69.7	-43.8	173.1	164.3	-87.6	0	0	0	111.2	F82 S86 P87 P88 N92 V93 I137 Q141 L145	F82-Y90 HydrophobicContact CD2-CD2 4.19Å; F82-Y90 HydrophobicContact CE1-CD2 4.25Å; F82-Y90 AromaticContact CE2-CD2 3.88Å; F82-Y90 HydrophobicContact CE2-CD2 3.88Å; F82-Y90 AromaticContact CZ-CD2 3.89Å; F82-Y90 HydrophobicContact CZ-CD2 3.89Å; S86-Y90 PolarHBondContact O-N 2.68Å; P87-Y90 WeakPolarHBondContact O-CB 3.41Å; P87-Y90 PolarHBondContact O-N 3.11Å; P87-Y90 VanDerWaalsContact O-N 3.13Å; P88-Y90 PolarHBondContact O-N 2.87Å; Y90-N92 VanDerWaalsContact C-N 3.34Å; Y90-N92 PolarHBondContact O-N 2.97Å; Y90-V93 VanDerWaalsContact O-CB 3.32Å; Y90-V93 WeakPolarHBondContact O-CB 3.5Å; Y90-V93 PolarHBondContact O-N 3.21Å; Y90-I137 HydrophobicContact CD1-CD1 3.96Å; Y90-I137 HydrophobicContact CD2-CD1 4.2Å; Y90-I137 HydrophobicContact CD2-CG1 4.22Å; Y90-I137 HydrophobicContact CD2-CG2 3.83Å; Y90-I137 HydrophobicContact CE2-CG2 4.07Å; Y90-I137 HydrophobicContact CG-CD1 3.75Å; Y90-I137 HydrophobicContact CG-CG1 4.04Å; Y90-I137 HydrophobicContact CG-CG2 4.45Å; Y90-Q141 HydrophobicContact CE2-CB 4.28Å; Y90-Q141 PolarHBondContact OH-O 2.94Å; Y90-L145 HydrophobicContact CD2-CD2 3.48Å; Y90-L145 VanDerWaalsContact CD2-CD2 3.48Å; Y90-L145 HydrophobicContact CE1-CD2 4.5Å; Y90-L145 HydrophobicContact CE2-CB 3.63Å; Y90-L145 HydrophobicContact CE2-CD2 3.29Å; Y90-L145 HydrophobicContact CE2-CG 4.07Å; Y90-L145 HydrophobicContact CG-CD2 4.2Å
91	E	98.6	Very high	98.5	Very high	84 Å²	84	32.5 Å²	32.5	39%	0.393	17%	0.165	S	C	.	.	H	α-helix	trans	-65.4	-38.9	176.4	-64.5	-56	150.7	0	0	111.7	P87 P88 V93 R94 H95	P87-E91 PolarHBondContact O-N 3.06Å; P87-E91 VanDerWaalsContact O-N 3.12Å; P88-E91 PolarHBondContact O-N 3.26Å; E91-V93 PolarHBondContact O-N 2.7Å; E91-V93 VanDerWaalsContact O-N 3.11Å; E91-R94 WeakPolarHBondContact O-CB 3.48Å; E91-R94 PolarHBondContact O-N 3.19Å; E91-H95 PolarHBondContact O-CD2 2.98Å; E91-H95 PolarHBondContact O-N 2.83Å
92	N	98.8	Very high	98.4	Very high	56 Å²	56	34.5 Å²	34.5	30%	0.299	18%	0.179	S	C	.	.	H	α-helix	trans	-61.2	-21.4	177.6	-73.5	-18.1	0	0	0	113.5	D11 P88 Y90 R94 H95 K96 W97	D11-N92 WeakPolarHBondContact OD1-CB 3.33Å; D11-N92 PolarHBondContact OD1-ND2 2.97Å; D11-N92 PolarHBondContact OD2-ND2 2.96Å; P88-N92 VanDerWaalsContact O-CG 3.29Å; P88-N92 PolarHBondContact O-N 2.87Å; P88-N92 PolarHBondContact O-ND2 2.85Å; Y90-N92 VanDerWaalsContact C-N 3.34Å; Y90-N92 PolarHBondContact O-N 2.97Å; N92-R94 VanDerWaalsContact C-N 3.3Å; N92-R94 PolarHBondContact O-N 3.21Å; N92-H95 PolarHBondContact O-N 3.13Å; N92-K96 WeakPolarHBondContact O-CA 3.45Å; N92-K96 WeakPolarHBondContact O-CB 3.27Å; N92-K96 PolarHBondContact O-N 2.68Å; N92-W97 PolarHBondContact O-N 2.84Å; N92-W97 VanDerWaalsContact O-N 3.11Å
93	V	98.8	Very high	98.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.	I	π-helix	trans	-57.2	-47.3	170.4	174	0	0	0	0	110.6	I80 F82 Y90 E91 H98 L112 L145 I149	I80-V93 HydrophobicContact CG2-CG1 4.04Å; I80-V93 HydrophobicContact CG2-CG2 4.03Å; F82-V93 HydrophobicContact CB-CG2 3.98Å; F82-V93 HydrophobicContact CD1-CG2 4.18Å; F82-V93 HydrophobicContact CG-CG2 4.43Å; Y90-V93 VanDerWaalsContact O-CB 3.32Å; Y90-V93 WeakPolarHBondContact O-CB 3.5Å; Y90-V93 PolarHBondContact O-N 3.21Å; E91-V93 PolarHBondContact O-N 2.7Å; E91-V93 VanDerWaalsContact O-N 3.11Å; V93-H98 VanDerWaalsContact O-CB 3.24Å; V93-H98 WeakPolarHBondContact O-CB 3.33Å; V93-H98 PolarHBondContact O-N 3.06Å; V93-L112 HydrophobicContact CG1-CD1 3.83Å; V93-L112 HydrophobicContact CG2-CD1 4.11Å; V93-L145 HydrophobicContact CB-CD2 3.87Å; V93-L145 HydrophobicContact CG1-CD1 4.47Å; V93-L145 HydrophobicContact CG1-CD2 3.9Å; V93-L145 HydrophobicContact CG1-CG 4.33Å; V93-L145 HydrophobicContact CG2-CD2 4.25Å; V93-I149 HydrophobicContact CG1-CD1 3.78Å
94	R	97.8	Very high	98.3	Very high	105 Å²	105	45.4 Å²	45.4	40%	0.396	23%	0.228	S	C	.	.	I	π-helix	trans	-71.7	-40	-179.6	-176.7	-170.2	-64.3	-125.1	3.2	111.7	E91 N92 P99 L145 Q148	E91-R94 WeakPolarHBondContact O-CB 3.48Å; E91-R94 PolarHBondContact O-N 3.19Å; N92-R94 VanDerWaalsContact C-N 3.3Å; N92-R94 PolarHBondContact O-N 3.21Å; R94-P99 VanDerWaalsContact O-CD 3.23Å; R94-P99 WeakPolarHBondContact O-CD 3.34Å; R94-P99 WeakPolarHBondContact O-CG 3.47Å; R94-L145 HydrophobicContact CB-CD1 4.43Å; R94-Q148 VanDerWaalsContact NH2-NE2 3.19Å
95	H	97.6	Very high	98.2	Very high	129 Å²	129	46.2 Å²	46.2	60%	0.597	23%	0.234	S	C	*	.	I	π-helix	trans	-88.7	-25	-168.7	-65	-60.3	0	0	0	114.3	E91 N92	E91-H95 PolarHBondContact O-CD2 2.98Å; E91-H95 PolarHBondContact O-N 2.83Å; N92-H95 PolarHBondContact O-N 3.13Å
96	K	98.1	Very high	98.1	Very high	33 Å²	33	50.4 Å²	50.4	14%	0.143	26%	0.261	C	S	.	.	I	π-helix	trans	-127.4	-62.9	-175.5	-176.3	-179.8	177.9	98	0	112.1	E62 D65 N92 P99 E100	E62-K96 IonicContact OE1-NZ 3.81Å; E62-K96 PolarHBondContact OE1-NZ 3.2Å; D65-K96 IonicContact OD1-NZ 2.97Å; D65-K96 PolarHBondContact OD1-NZ 3.31Å; D65-K96 IonicContact OD2-NZ 3.76Å; D65-K96 PolarHBondContact OD2-NZ 2.87Å; N92-K96 WeakPolarHBondContact O-CA 3.45Å; N92-K96 WeakPolarHBondContact O-CB 3.27Å; N92-K96 PolarHBondContact O-N 2.68Å; K96-P99 WeakPolarHBondContact O-CD 3.17Å; K96-E100 VanDerWaalsContact O-CB 3.28Å; K96-E100 WeakPolarHBondContact O-CB 3.23Å; K96-E100 PolarHBondContact O-N 2.79Å
97	W	98.7	Very high	97.9	Very high	1 Å²	1	53.2 Å²	53.2	0%	0.004	27%	0.273	C	S	.	.	I	π-helix	trans	-69.2	-47.3	-164.5	-60.4	108.4	0	0	0	114.2	V9 G10 D11 I80 N92 E100 V101	V9-W97 HydrophobicContact CB-CE3 3.76Å; V9-W97 HydrophobicContact CB-CZ3 3.96Å; V9-W97 HydrophobicContact CG2-CE3 4.02Å; G10-W97 WeakPolarHBondContact O-CH2 3.31Å; G10-W97 WeakPolarHBondContact O-CZ2 3.2Å; D11-W97 PolarHBondContact OD1-NE1 2.99Å; I80-W97 HydrophobicContact CD1-CB 4.39Å; I80-W97 HydrophobicContact CG2-CB 3.65Å; I80-W97 HydrophobicContact CG2-CG 4.25Å; N92-W97 PolarHBondContact O-N 2.84Å; N92-W97 VanDerWaalsContact O-N 3.11Å; W97-E100 PolarHBondContact O-N 2.98Å; W97-V101 WeakPolarHBondContact O-CB 3.42Å; W97-V101 WeakPolarHBondContact O-CG2 3.29Å; W97-V101 PolarHBondContact O-N 2.89Å
98	H	98.6	Very high	97.8	Very high	43 Å²	43	53.8 Å²	53.8	20%	0.199	28%	0.276	C	S	.	.	H	α-helix	trans	-65	-49.2	177.3	168.1	-102.2	0	0	0	111.9	I80 V93 E100 V101 C102 I149	I80-H98 HydrophobicContact CD1-CB 4.29Å; V93-H98 VanDerWaalsContact O-CB 3.24Å; V93-H98 WeakPolarHBondContact O-CB 3.33Å; V93-H98 PolarHBondContact O-N 3.06Å; H98-E100 VanDerWaalsContact C-N 3.32Å; H98-E100 PolarHBondContact O-N 3.03Å; H98-V101 PolarHBondContact O-N 3.42Å; H98-C102 PolarHBondContact CD2-SG 3.35Å; H98-C102 PolarHBondContact NE2-SG 2.96Å; H98-C102 WeakPolarHBondContact O-CB 3.37Å; H98-C102 PolarHBondContact O-N 2.79Å; H98-C102 PolarHBondContact O-SG 2.76Å; H98-C102 VanDerWaalsContact O-SG 3.41Å; H98-I149 HydrophobicContact CB-CB 4.31Å; H98-I149 HydrophobicContact CB-CG2 4.14Å; H98-I149 PolarHBondContact NE2-O 2.89Å
99	P	98.4	Very high	97.8	Very high	59 Å²	59	52.5 Å²	52.5	38%	0.383	27%	0.268	S	S	.	.	H	α-helix	trans	-54.4	-43.5	173.5	-27.9	34.8	0	0	0	114	R94 K96 H103	R94-P99 VanDerWaalsContact O-CD 3.23Å; R94-P99 WeakPolarHBondContact O-CD 3.34Å; R94-P99 WeakPolarHBondContact O-CG 3.47Å; K96-P99 WeakPolarHBondContact O-CD 3.17Å; P99-H103 VanDerWaalsContact O-CB 3.27Å; P99-H103 WeakPolarHBondContact O-CB 3.35Å; P99-H103 PolarHBondContact O-N 2.99Å
100	E	98.4	Very high	97.8	Very high	27 Å²	27	53 Å²	53	13%	0.126	27%	0.27	C	S	.	.	H	α-helix	trans	-63.6	-49.7	179.2	-173.6	-177.8	115	0	0	111.7	R68 Y72 K96 W97 H98 C102 H103 H104	R68-E100 IonicContact CZ-OE1 2.72Å; R68-E100 IonicContact CZ-OE2 2.91Å; R68-E100 IonicContact NE-OE1 2.96Å; R68-E100 PolarHBondContact NE-OE1 3.47Å; R68-E100 IonicContact NE-OE2 2.68Å; R68-E100 IonicContact NH2-OE1 3.32Å; R68-E100 PolarHBondContact NH2-OE1 3.35Å; R68-E100 VanDerWaalsContact NH2-OE1 3.17Å; R68-E100 IonicContact NH2-OE2 3.95Å; R68-E100 PolarHBondContact NH2-OE2 3.01Å; Y72-E100 HydrophobicContact CE2-CG 4.22Å; Y72-E100 PolarHBondContact OH-OE1 3.44Å; K96-E100 VanDerWaalsContact O-CB 3.28Å; K96-E100 WeakPolarHBondContact O-CB 3.23Å; K96-E100 PolarHBondContact O-N 2.79Å; W97-E100 PolarHBondContact O-N 2.98Å; H98-E100 VanDerWaalsContact C-N 3.32Å; H98-E100 PolarHBondContact O-N 3.03Å; E100-C102 PolarHBondContact O-N 2.55Å; E100-H103 PolarHBondContact O-N 3.21Å; E100-H104 PolarHBondContact O-CD2 2.55Å; E100-H104 PolarHBondContact O-N 3.31Å
101	V	98.2	Very high	97.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.8	-46.1	178.2	169.7	0	0	0	0	110.8	V9 F78 I80 W97 H98 H103 H104 C105 I110	V9-V101 HydrophobicContact CG2-CG2 3.96Å; F78-V101 HydrophobicContact CB-CG1 4.16Å; F78-V101 HydrophobicContact CD1-CG1 4.11Å; F78-V101 HydrophobicContact CD1-CG2 3.9Å; F78-V101 HydrophobicContact CD2-CG1 3.5Å; F78-V101 VanDerWaalsContact CD2-CG1 3.5Å; F78-V101 HydrophobicContact CE1-CG1 4.39Å; F78-V101 HydrophobicContact CE1-CG2 4.16Å; F78-V101 HydrophobicContact CE2-CG1 3.85Å; F78-V101 HydrophobicContact CG-CG1 3.65Å; F78-V101 HydrophobicContact CG-CG2 4.21Å; F78-V101 HydrophobicContact CZ-CG1 4.27Å; I80-V101 HydrophobicContact CD1-CG2 4.27Å; I80-V101 HydrophobicContact CG1-CG2 4.49Å; W97-V101 WeakPolarHBondContact O-CB 3.42Å; W97-V101 WeakPolarHBondContact O-CG2 3.29Å; W97-V101 PolarHBondContact O-N 2.89Å; H98-V101 PolarHBondContact O-N 3.42Å; V101-H103 VanDerWaalsContact C-N 3.33Å; V101-H103 PolarHBondContact O-N 3.48Å; V101-H104 PolarHBondContact O-N 2.84Å; V101-C105 CarbonylContact O-C 3.6Å; V101-C105 WeakPolarHBondContact O-CA 3.46Å; V101-C105 WeakPolarHBondContact O-CB 3.34Å; V101-C105 PolarHBondContact O-N 2.85Å; V101-I110 HydrophobicContact CB-CD1 4.49Å; V101-I110 HydrophobicContact CG1-CD1 3.79Å; V101-I110 HydrophobicContact CG1-CG1 4.06Å
102	C	97.5	Very high	97.8	Very high	42 Å²	42	48.1 Å²	48.1	28%	0.284	25%	0.248	S	C	.	.	H	α-helix	trans	-68.5	-30.9	-179.8	-71.2	0	0	0	0	113.3	H98 E100 P106	H98-C102 PolarHBondContact CD2-SG 3.35Å; H98-C102 PolarHBondContact NE2-SG 2.96Å; H98-C102 WeakPolarHBondContact O-CB 3.37Å; H98-C102 PolarHBondContact O-N 2.79Å; H98-C102 PolarHBondContact O-SG 2.76Å; H98-C102 VanDerWaalsContact O-SG 3.41Å; E100-C102 PolarHBondContact O-N 2.55Å; C102-P106 WeakPolarHBondContact O-CA 3.04Å; C102-P106 WeakPolarHBondContact O-CB 3.33Å
103	H	97.6	Very high	97.8	Very high	148 Å²	148	45.5 Å²	45.5	69%	0.685	23%	0.234	S	C	*	.	H	α-helix	trans	-64.2	-43.6	174.9	179.1	69.7	0	0	0	111.6	P99 E100 V101	P99-H103 VanDerWaalsContact O-CB 3.27Å; P99-H103 WeakPolarHBondContact O-CB 3.35Å; P99-H103 PolarHBondContact O-N 2.99Å; E100-H103 PolarHBondContact O-N 3.21Å; V101-H103 VanDerWaalsContact C-N 3.33Å; V101-H103 PolarHBondContact O-N 3.48Å
104	H	97.8	Very high	97.8	Very high	87 Å²	87	45.5 Å²	45.5	40%	0.403	23%	0.234	S	C	.	.	H	α-helix	trans	-88.5	-29.3	-177.1	-73.8	-75.7	0	0	0	114.3	T69 Y72 E100 V101	T69-H104 WeakPolarHBondContact CG2-NE2 3.4Å; Y72-H104 HydrophobicContact CD2-CB 3.64Å; Y72-H104 AromaticContact CD2-CD2 3.96Å; Y72-H104 AromaticContact CD2-CG 3.81Å; Y72-H104 HydrophobicContact CE2-CB 4.34Å; Y72-H104 AromaticContact CE2-CD2 3.98Å; E100-H104 PolarHBondContact O-CD2 2.55Å; E100-H104 PolarHBondContact O-N 3.31Å; V101-H104 PolarHBondContact O-N 2.84Å
105	C	97	Very high	97.9	Very high	17 Å²	17	40.7 Å²	40.7	12%	0.115	22%	0.216	C	C	.	.			trans	-143.9	66.1	-169.4	-72	0	0	0	0	111.4	F78 V101 D107 V108	F78-C105 HydrophobicContact CE2-CB 3.53Å; F78-C105 HydrophobicContact CZ-CB 4.1Å; V101-C105 CarbonylContact O-C 3.6Å; V101-C105 WeakPolarHBondContact O-CA 3.46Å; V101-C105 WeakPolarHBondContact O-CB 3.34Å; V101-C105 PolarHBondContact O-N 2.85Å; C105-D107 VanDerWaalsContact C-N 3.29Å; C105-D107 PolarHBondContact O-N 3.17Å; C105-V108 HydrophobicContact CB-CB 4.12Å; C105-V108 HydrophobicContact CB-CG2 3.74Å; C105-V108 PolarHBondContact O-N 3.34Å
106	P	95.4	Very high	97.9	Very high	91 Å²	91	37.9 Å²	37.9	59%	0.591	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-25.6	-168.3	24.4	-35.5	0	0	0	115.3	C102	C102-P106 WeakPolarHBondContact O-CA 3.04Å; C102-P106 WeakPolarHBondContact O-CB 3.33Å
107	D	93.8	Very high	97.9	Very high	98 Å²	98	39.5 Å²	39.5	52%	0.524	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	1.4	-175.3	-67.5	-49.7	0	0	0	113.6	C105 R184	C105-D107 VanDerWaalsContact C-N 3.29Å; C105-D107 PolarHBondContact O-N 3.17Å; D107-R184 IonicContact OD1-CZ 3.28Å; D107-R184 IonicContact OD1-NH2 2.69Å; D107-R184 PolarHBondContact OD1-NH2 3.25Å; D107-R184 IonicContact OD2-NH2 2.69Å
108	V	97.4	Very high	97.9	Very high	30 Å²	30	41 Å²	41	18%	0.182	22%	0.218	C	C	.	.	S	Bend	trans	-84.3	129.2	-177.4	-178.5	0	0	0	0	109.6	T75 F78 C105	T75-V108 HydrophobicContact CG2-CG1 4.15Å; T75-V108 WeakPolarHBondContact O-CG2 3.39Å; F78-V108 HydrophobicContact CD2-CB 3.96Å; F78-V108 HydrophobicContact CD2-CG1 3.49Å; F78-V108 VanDerWaalsContact CD2-CG1 3.49Å; F78-V108 HydrophobicContact CE2-CB 4.02Å; F78-V108 HydrophobicContact CE2-CG1 3.8Å; F78-V108 HydrophobicContact CE2-CG2 4.4Å; C105-V108 HydrophobicContact CB-CB 4.12Å; C105-V108 HydrophobicContact CB-CG2 3.74Å; C105-V108 PolarHBondContact O-N 3.34Å
109	P	97.9	Very high	97.9	Very high	34 Å²	34	40.6 Å²	40.6	22%	0.221	22%	0.217	C	C	.	.			trans	-62.6	143.5	179.2	25.4	-34.9	0	0	0	112	N76 V77 F78 V152 A175	N76-P109 WeakPolarHBondContact O-CD 3.37Å; N76-P109 WeakPolarHBondContact O-CG 3.49Å; V77-P109 HydrophobicContact CB-CG 4.31Å; V77-P109 HydrophobicContact CG2-CG 4.3Å; F78-P109 PolarHBondContact N-O 3.01Å; P109-V152 HydrophobicContact CB-CG1 3.74Å; P109-A175 HydrophobicContact CB-CB 4.3Å; P109-A175 HydrophobicContact CG-CB 4.45Å
110	I	98.6	Very high	97.9	Very high	11 Å²	11	40.5 Å²	40.5	6%	0.056	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.9	-178	-61.9	171.9	0	0	0	109.5	F78 I80 V101 A151 V152	F78-I110 HydrophobicContact CB-CG1 4.29Å; I80-I110 HydrophobicContact CB-CG2 4.49Å; I80-I110 HydrophobicContact CD1-CD1 4.35Å; I80-I110 HydrophobicContact CD1-CG2 3.6Å; I80-I110 HydrophobicContact CG1-CG2 3.8Å; V101-I110 HydrophobicContact CB-CD1 4.49Å; V101-I110 HydrophobicContact CG1-CD1 3.79Å; V101-I110 HydrophobicContact CG1-CG1 4.06Å; I110-A151 HydrophobicContact CG2-CB 4.41Å; I110-A151 CarbonylContact O-C 3.56Å; I110-A151 VanDerWaalsContact O-CA 3.23Å; I110-A151 WeakPolarHBondContact O-CA 3.45Å; I110-A151 WeakPolarHBondContact O-CB 3.42Å; I110-V152 WeakPolarHBondContact O-CG2 3.47Å; I110-V152 PolarHBondContact O-N 3.49Å
111	L	98.7	Very high	97.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	137.1	162.7	-78.4	74.3	0	0	0	109.2	V77 F78 V79 I80 V152 R153 L155 E171 A172 A175	V77-L111 HydrophobicContact CG2-CD1 3.53Å; F78-L111 PolarHBondContact O-N 2.78Å; V79-L111 HydrophobicContact CG2-CB 4.38Å; I80-L111 PolarHBondContact N-O 2.96Å; L111-V152 HydrophobicContact CD1-CG2 3.51Å; L111-V152 HydrophobicContact CG-CG2 3.93Å; L111-R153 HydrophobicContact CG-CB 4.47Å; L111-L155 HydrophobicContact CD2-CD1 3.92Å; L111-E171 HydrophobicContact CD2-CB 3.77Å; L111-A172 HydrophobicContact CD1-CB 4.4Å; L111-A172 HydrophobicContact CD2-CB 4.04Å; L111-A175 HydrophobicContact CD1-CB 4.03Å
112	L	98.9	Very high	97.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	126.5	169.8	-178	64.6	0	0	0	109.3	F82 V93 L145 A146 I149 A151 R153 Y154 L155	F82-L112 HydrophobicContact CD1-CD1 3.79Å; F82-L112 HydrophobicContact CD1-CG 4.31Å; F82-L112 HydrophobicContact CE1-CD1 3.92Å; F82-L112 HydrophobicContact CE1-CD2 4.17Å; F82-L112 HydrophobicContact CE1-CG 3.92Å; V93-L112 HydrophobicContact CG1-CD1 3.83Å; V93-L112 HydrophobicContact CG2-CD1 4.11Å; L112-L145 HydrophobicContact CD1-CD2 4.4Å; L112-L145 HydrophobicContact CD2-CB 3.91Å; L112-L145 HydrophobicContact CD2-CD2 3.85Å; L112-L145 HydrophobicContact CD2-CG 3.75Å; L112-A146 HydrophobicContact CB-CB 4.28Å; L112-A146 HydrophobicContact CD2-CB 3.9Å; L112-I149 HydrophobicContact CB-CD1 4.31Å; L112-I149 HydrophobicContact CD1-CD1 4.12Å; L112-I149 HydrophobicContact CD2-CD1 4.32Å; L112-I149 HydrophobicContact CG-CD1 4.49Å; L112-A151 HydrophobicContact CB-CB 4.08Å; L112-R153 PolarHBondContact N-O 2.99Å; L112-Y154 HydrophobicContact CB-CD2 4.12Å; L112-Y154 HydrophobicContact CD2-CD2 3.88Å; L112-Y154 HydrophobicContact CD2-CE2 4.34Å; L112-Y154 HydrophobicContact CG-CD2 3.84Å; L112-Y154 HydrophobicContact CG-CE2 4.27Å; L112-Y154 WeakPolarHBondContact O-CA 3.36Å; L112-Y154 WeakPolarHBondContact O-CD2 3.35Å; L112-L155 PolarHBondContact O-N 3.41Å
113	V	98.9	Very high	97.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.4	-176.3	179.6	0	0	0	0	111.4	L19 V79 I80 C81 F82 T115 L155 V168	L19-V113 HydrophobicContact CD2-CG1 4.41Å; V79-V113 HydrophobicContact CG1-CB 4.05Å; V79-V113 HydrophobicContact CG1-CG2 3.53Å; I80-V113 PolarHBondContact O-N 2.8Å; C81-V113 WeakPolarHBondContact CA-O 3.26Å; F82-V113 PolarHBondContact N-O 2.64Å; V113-T115 HydrophobicContact CG1-CG2 4.14Å; V113-L155 CarbonylContact C-O 3.41Å; V113-L155 WeakPolarHBondContact CA-O 3.32Å; V113-L155 HydrophobicContact CG2-CB 4.45Å; V113-V168 HydrophobicContact CG1-CG2 3.95Å; V113-V168 HydrophobicContact CG2-CG1 3.9Å; V113-V168 HydrophobicContact CG2-CG2 4.04Å
114	G	98.9	Very high	97.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	104.7	167.7	0	0	0	0	0	110.8	F82 I84 L155 E156 C157	F82-G114 CarbonylContact O-C 3.57Å; F82-G114 WeakPolarHBondContact O-CA 3.15Å; I84-G114 WeakPolarHBondContact CD1-O 3.45Å; G114-L155 PolarHBondContact N-O 2.8Å; G114-E156 CarbonylContact O-C 3.47Å; G114-E156 VanDerWaalsContact O-CA 3.22Å; G114-E156 WeakPolarHBondContact O-CA 3.24Å; G114-C157 PolarHBondContact O-N 3.26Å
115	T	98.8	Very high	97.8	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.025	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	167.5	178.5	61.3	0	0	0	0	111.6	V14 C81 F82 S83 I84 V113 K117 C157	V14-T115 WeakPolarHBondContact O-CB 3.38Å; V14-T115 PolarHBondContact O-OG1 3.24Å; C81-T115 HydrophobicContact CB-CG2 4.11Å; F82-T115 PolarHBondContact O-N 3.3Å; F82-T115 PolarHBondContact O-OG1 2.9Å; S83-T115 WeakPolarHBondContact CA-OG1 3.2Å; I84-T115 WeakPolarHBondContact CB-O 3.39Å; I84-T115 PolarHBondContact N-O 3.37Å; V113-T115 HydrophobicContact CG1-CG2 4.14Å; T115-K117 VanDerWaalsContact C-N 3.32Å; T115-K117 PolarHBondContact O-N 3.49Å; T115-C157 CarbonylContact C-O 3.47Å
116	K	98.5	Very high	97.9	Very high	71 Å²	71	46 Å²	46	31%	0.309	26%	0.257	S	S	.	.			trans	58.1	41.9	178.3	-45	-168.2	-169.7	-175.9	0	113	A13 V14 D118 L119 C157	A13-K116 VanDerWaalsContact O-CE 3.31Å; A13-K116 WeakPolarHBondContact O-CE 3.42Å; A13-K116 PolarHBondContact O-NZ 3.02Å; V14-K116 VanDerWaalsContact O-CE 3.23Å; V14-K116 WeakPolarHBondContact O-CE 3.47Å; K116-D118 WeakPolarHBondContact CA-OD1 3.17Å; K116-D118 PolarHBondContact O-N 2.72Å; K116-L119 HydrophobicContact CB-CD1 3.69Å; K116-L119 HydrophobicContact CB-CG 3.97Å; K116-L119 HydrophobicContact CD-CD1 3.72Å; K116-L119 HydrophobicContact CG-CD1 4.35Å; K116-L119 WeakPolarHBondContact O-CB 3.42Å; K116-L119 PolarHBondContact O-N 3.4Å; K116-C157 PolarHBondContact N-O 3Å
117	K	98.8	Very high	98	Very high	66 Å²	66	49.6 Å²	49.6	29%	0.287	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-53.7	-33.5	179	-178.4	-174.1	171.5	-164.6	0	113.5	I84 T115 L119 R120 E156 C157 D163	I84-K117 VanDerWaalsContact CD1-CA 3.44Å; I84-K117 HydrophobicContact CD1-CB 3.73Å; I84-K117 HydrophobicContact CD1-CG 4.18Å; T115-K117 VanDerWaalsContact C-N 3.32Å; T115-K117 PolarHBondContact O-N 3.49Å; K117-L119 PolarHBondContact O-N 3.06Å; K117-R120 WeakPolarHBondContact O-CB 3.4Å; K117-R120 PolarHBondContact O-N 2.96Å; K117-R120 VanDerWaalsContact O-N 3.13Å; K117-E156 HydrophobicContact CD-CB 4Å; K117-E156 HydrophobicContact CG-CB 4.38Å; K117-C157 WeakPolarHBondContact CB-O 3.36Å; K117-C157 PolarHBondContact N-O 3.07Å; K117-D163 WeakPolarHBondContact CD-OD2 3.48Å; K117-D163 WeakPolarHBondContact CE-OD2 3.35Å; K117-D163 IonicContact NZ-OD1 3.01Å; K117-D163 IonicContact NZ-OD2 3.84Å; K117-D163 PolarHBondContact NZ-OD2 2.7Å
118	D	98.3	Very high	98.2	Very high	34 Å²	34	49.9 Å²	49.9	18%	0.182	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-54.7	-31.8	174.8	53.2	-75.6	0	0	0	113.2	K116 R120 S158 Q161	K116-D118 WeakPolarHBondContact CA-OD1 3.17Å; K116-D118 PolarHBondContact O-N 2.72Å; D118-R120 VanDerWaalsContact C-N 3.27Å; D118-R120 PolarHBondContact O-N 3.32Å; D118-S158 VanDerWaalsContact CG-OG 3.26Å; D118-S158 WeakPolarHBondContact OD1-CB 3.32Å; D118-S158 PolarHBondContact OD1-OG 2.91Å; D118-Q161 HydrophobicContact CB-CG 4.06Å
119	L	98.3	Very high	98.2	Very high	34 Å²	34	48.5 Å²	48.5	18%	0.178	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-75.5	-12.6	-177.8	-58.5	-176.5	0	0	0	113.6	A85 K116 K117 A121 Q122 T125	A85-L119 HydrophobicContact CB-CB 3.71Å; A85-L119 HydrophobicContact CB-CD1 3.64Å; A85-L119 HydrophobicContact CB-CG 4.35Å; K116-L119 HydrophobicContact CB-CD1 3.69Å; K116-L119 HydrophobicContact CB-CG 3.97Å; K116-L119 HydrophobicContact CD-CD1 3.72Å; K116-L119 HydrophobicContact CG-CD1 4.35Å; K116-L119 WeakPolarHBondContact O-CB 3.42Å; K116-L119 PolarHBondContact O-N 3.4Å; K117-L119 PolarHBondContact O-N 3.06Å; L119-A121 PolarHBondContact O-N 2.91Å; L119-Q122 HydrophobicContact CD2-CB 4.45Å; L119-Q122 PolarHBondContact O-N 3.36Å; L119-T125 HydrophobicContact CB-CG2 4.23Å; L119-T125 WeakPolarHBondContact O-CB 3.37Å; L119-T125 WeakPolarHBondContact O-CG2 3.37Å
120	R	98.1	Very high	98.2	Very high	56 Å²	56	55.1 Å²	55.1	21%	0.211	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-58.9	-37.6	-178.9	-176.6	174	-68	127.3	-5.5	112.7	I84 K117 D118 P136 I137 E156	I84-R120 VanDerWaalsContact CD1-NH2 3.31Å; I84-R120 HydrophobicContact CG2-CB 3.92Å; I84-R120 HydrophobicContact CG2-CG 4.43Å; K117-R120 WeakPolarHBondContact O-CB 3.4Å; K117-R120 PolarHBondContact O-N 2.96Å; K117-R120 VanDerWaalsContact O-N 3.13Å; D118-R120 VanDerWaalsContact C-N 3.27Å; D118-R120 PolarHBondContact O-N 3.32Å; R120-P136 HydrophobicContact CG-CB 4.16Å; R120-I137 PolarHBondContact NE-O 3Å; R120-I137 PolarHBondContact NH2-O 3.47Å; R120-E156 IonicContact CZ-OE1 3.52Å; R120-E156 IonicContact CZ-OE2 3.37Å; R120-E156 VanDerWaalsContact CZ-OE2 3.28Å; R120-E156 IonicContact NH1-OE1 3.92Å; R120-E156 IonicContact NH1-OE2 2.64Å; R120-E156 PolarHBondContact NH1-OE2 3.24Å; R120-E156 IonicContact NH2-OE1 3.3Å; R120-E156 PolarHBondContact NH2-OE1 3.49Å; R120-E156 IonicContact NH2-OE2 2.8Å; R120-E156 PolarHBondContact NH2-OE2 2.83Å
121	A	96.5	Very high	98.2	Very high	81 Å²	81	60.9 Å²	60.9	67%	0.669	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-105.7	4	-178.7	0	0	0	0	0	112.9	L119 P123	L119-A121 PolarHBondContact O-N 2.91Å; A121-P123 WeakPolarHBondContact O-CD 3.44Å
122	Q	97.8	Very high	98.1	Very high	64 Å²	64	66.1 Å²	66.1	30%	0.299	32%	0.321	S	S	.	.			trans	-73.6	124.8	-177	-169.6	-144.5	-0.1	0	0	110.2	L119 D124 T125 L126	L119-Q122 HydrophobicContact CD2-CB 4.45Å; L119-Q122 PolarHBondContact O-N 3.36Å; Q122-D124 VanDerWaalsContact C-N 3.35Å; Q122-D124 PolarHBondContact NE2-OD2 2.84Å; Q122-D124 PolarHBondContact O-N 3.48Å; Q122-T125 PolarHBondContact O-N 2.86Å; Q122-T125 VanDerWaalsContact O-N 3.15Å; Q122-T125 PolarHBondContact OE1-OG1 2.9Å; Q122-L126 WeakPolarHBondContact O-CG 3.45Å; Q122-L126 PolarHBondContact O-N 3.26Å
123	P	98.1	Very high	98.1	Very high	96 Å²	96	69.6 Å²	69.6	62%	0.623	36%	0.357	S	S	*	.	H	α-helix	trans	-54.2	-43.7	-176.4	-29.5	36.1	0	0	0	114.6	A121 L126 R127	A121-P123 WeakPolarHBondContact O-CD 3.44Å; P123-L126 PolarHBondContact O-N 3.38Å; P123-R127 WeakPolarHBondContact O-CB 3.33Å; P123-R127 PolarHBondContact O-N 3.37Å
124	D	97.8	Very high	98	Very high	111 Å²	111	73.1 Å²	73.1	59%	0.594	37%	0.373	S	S	*	.	H	α-helix	trans	-67.6	-39.3	-179.2	-57.1	-43.3	0	0	0	112.1	Q122 R127 R128	Q122-D124 VanDerWaalsContact C-N 3.35Å; Q122-D124 PolarHBondContact NE2-OD2 2.84Å; Q122-D124 PolarHBondContact O-N 3.48Å; D124-R127 PolarHBondContact O-N 3.46Å; D124-R128 WeakPolarHBondContact O-CB 3.46Å; D124-R128 PolarHBondContact O-N 3.38Å
125	T	97.6	Very high	98	Very high	8 Å²	8	76.2 Å²	76.2	5%	0.049	40%	0.399	C	S	.	.	H	α-helix	trans	-63.1	-45.3	174.5	-73.9	0	0	0	0	110.8	A85 L119 Q122 R127 R128 L129	A85-T125 HydrophobicContact CB-CG2 3.63Å; L119-T125 HydrophobicContact CB-CG2 4.23Å; L119-T125 WeakPolarHBondContact O-CB 3.37Å; L119-T125 WeakPolarHBondContact O-CG2 3.37Å; Q122-T125 PolarHBondContact O-N 2.86Å; Q122-T125 VanDerWaalsContact O-N 3.15Å; Q122-T125 PolarHBondContact OE1-OG1 2.9Å; T125-R127 PolarHBondContact O-N 3.25Å; T125-R128 PolarHBondContact O-N 3.28Å; T125-L129 HydrophobicContact CG2-CD1 3.74Å; T125-L129 HydrophobicContact CG2-CG 4.41Å; T125-L129 WeakPolarHBondContact O-CB 3.45Å; T125-L129 WeakPolarHBondContact O-CG 3.33Å; T125-L129 PolarHBondContact O-N 3.17Å
126	L	98.3	Very high	98	Very high	77 Å²	77	76.7 Å²	76.7	40%	0.403	40%	0.402	S	S	.	.	H	α-helix	trans	-60.9	-44.4	177.6	-70.7	172.4	0	0	0	111.6	Q122 P123 K130 P136	Q122-L126 WeakPolarHBondContact O-CG 3.45Å; Q122-L126 PolarHBondContact O-N 3.26Å; P123-L126 PolarHBondContact O-N 3.38Å; L126-K130 VanDerWaalsContact O-CB 3.24Å; L126-K130 WeakPolarHBondContact O-CB 3.49Å; L126-K130 PolarHBondContact O-N 3.43Å; L126-P136 HydrophobicContact CD2-CG 3.65Å
127	R	98.3	Very high	98	Very high	167 Å²	167	73.5 Å²	73.5	63%	0.63	39%	0.388	S	S	*	.	H	α-helix	trans	-61.5	-52.5	177.3	-179.3	-179.2	171.1	174.5	2.5	111.5	P123 D124 T125 L129 K130 E131	P123-R127 WeakPolarHBondContact O-CB 3.33Å; P123-R127 PolarHBondContact O-N 3.37Å; D124-R127 PolarHBondContact O-N 3.46Å; T125-R127 PolarHBondContact O-N 3.25Å; R127-L129 PolarHBondContact O-N 3.21Å; R127-K130 PolarHBondContact O-N 2.57Å; R127-E131 WeakPolarHBondContact CG-OE1 2.87Å; R127-E131 IonicContact CZ-OE1 3.47Å; R127-E131 IonicContact NE-OE1 3.81Å; R127-E131 PolarHBondContact NE-OE1 3.39Å; R127-E131 IonicContact NH2-OE1 3.17Å; R127-E131 WeakPolarHBondContact O-CG 3.49Å; R127-E131 PolarHBondContact O-N 3Å
128	R	98	Very high	98	Very high	104 Å²	104	72.8 Å²	72.8	39%	0.392	39%	0.39	S	S	.	.	H	α-helix	trans	-58.8	-45.1	-179.3	-177.7	-176.5	63.4	76.6	-0.6	112	A85 D124 T125 E131 Q132	A85-R128 PolarHBondContact O-NH2 3.35Å; A85-R128 VanDerWaalsContact O-NH2 3.09Å; D124-R128 WeakPolarHBondContact O-CB 3.46Å; D124-R128 PolarHBondContact O-N 3.38Å; T125-R128 PolarHBondContact O-N 3.28Å; R128-E131 PolarHBondContact O-N 3.36Å; R128-Q132 WeakPolarHBondContact O-CG 3.44Å; R128-Q132 PolarHBondContact O-N 2.93Å
129	L	98.1	Very high	98	Very high	1 Å²	1	73.3 Å²	73.3	1%	0.005	40%	0.395	C	S	.	.	H	α-helix	trans	-67	-40.4	178.7	-72.3	172.3	0	0	0	111.3	P87 T125 R127 E131 Q132 G133 Q134 P136	P87-L129 HydrophobicContact CG-CD2 4.22Å; T125-L129 HydrophobicContact CG2-CD1 3.74Å; T125-L129 HydrophobicContact CG2-CG 4.41Å; T125-L129 WeakPolarHBondContact O-CB 3.45Å; T125-L129 WeakPolarHBondContact O-CG 3.33Å; T125-L129 PolarHBondContact O-N 3.17Å; R127-L129 PolarHBondContact O-N 3.21Å; L129-E131 VanDerWaalsContact C-N 3.34Å; L129-E131 PolarHBondContact O-N 2.81Å; L129-Q132 CarbonylContact O-C 3.16Å; L129-Q132 WeakPolarHBondContact O-CA 3.39Å; L129-Q132 WeakPolarHBondContact O-CB 3.13Å; L129-Q132 PolarHBondContact O-N 3.04Å; L129-G133 PolarHBondContact O-N 3.14Å; L129-Q134 CarbonylContact C-O 3.56Å; L129-Q134 HydrophobicContact CB-CB 4.28Å; L129-Q134 HydrophobicContact CD2-CB 4.1Å; L129-Q134 CarbonylContact O-C 3.43Å; L129-Q134 WeakPolarHBondContact O-CA 3.36Å; L129-Q134 PolarHBondContact O-N 3.11Å; L129-Q134 VanDerWaalsContact O-O 3.08Å; L129-P136 HydrophobicContact CD1-CB 4.29Å; L129-P136 HydrophobicContact CD1-CG 3.73Å
130	K	97.9	Very high	98	Very high	172 Å²	172	77.9 Å²	77.9	75%	0.748	42%	0.415	S	S	*	.	H	α-helix	trans	-61.3	-41.2	176.1	-172.8	-179.3	-179.1	-177.5	0	112.3	L126 R127 Q132 G133 Q134	L126-K130 VanDerWaalsContact O-CB 3.24Å; L126-K130 WeakPolarHBondContact O-CB 3.49Å; L126-K130 PolarHBondContact O-N 3.43Å; R127-K130 PolarHBondContact O-N 2.57Å; K130-Q132 PolarHBondContact O-N 3.03Å; K130-G133 PolarHBondContact O-N 2.94Å; K130-Q134 PolarHBondContact N-O 2.92Å
131	E	97.9	Very high	98.1	Very high	132 Å²	132	79 Å²	79	62%	0.617	42%	0.423	S	S	*	.	H	α-helix	trans	-60.1	-27.7	174	-72.5	168.4	-176.8	0	0	112.1	R127 R128 L129	R127-E131 WeakPolarHBondContact CG-OE1 2.87Å; R127-E131 IonicContact CZ-OE1 3.47Å; R127-E131 IonicContact NE-OE1 3.81Å; R127-E131 PolarHBondContact NE-OE1 3.39Å; R127-E131 IonicContact NH2-OE1 3.17Å; R127-E131 WeakPolarHBondContact O-CG 3.49Å; R127-E131 PolarHBondContact O-N 3Å; R128-E131 PolarHBondContact O-N 3.36Å; L129-E131 VanDerWaalsContact C-N 3.34Å; L129-E131 PolarHBondContact O-N 2.81Å
132	Q	97.3	Very high	98.2	Very high	110 Å²	110	75.1 Å²	75.1	51%	0.514	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	5.5	175.8	-63.9	174.2	-16.7	0	0	113.4	R128 L129 K130 Q134	R128-Q132 WeakPolarHBondContact O-CG 3.44Å; R128-Q132 PolarHBondContact O-N 2.93Å; L129-Q132 CarbonylContact O-C 3.16Å; L129-Q132 WeakPolarHBondContact O-CA 3.39Å; L129-Q132 WeakPolarHBondContact O-CB 3.13Å; L129-Q132 PolarHBondContact O-N 3.04Å; K130-Q132 PolarHBondContact O-N 3.03Å; Q132-Q134 VanDerWaalsContact C-N 3.27Å; Q132-Q134 HydrophobicContact CB-CG 4.49Å; Q132-Q134 PolarHBondContact O-N 2.92Å
133	G	97.8	Very high	98.2	Very high	74 Å²	74	77 Å²	77	76%	0.763	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	22.7	-176	0	0	0	0	0	114	L129 K130	L129-G133 PolarHBondContact O-N 3.14Å; K130-G133 PolarHBondContact O-N 2.94Å
134	Q	97.9	Very high	98.2	Very high	73 Å²	73	74.4 Å²	74.4	34%	0.341	39%	0.387	S	S	.	.			trans	-120.6	169.4	-174.7	-68.6	-175.3	-6.7	0	0	112.1	P87 L129 K130 Q132	P87-Q134 HydrophobicContact CG-CB 4.19Å; L129-Q134 CarbonylContact C-O 3.56Å; L129-Q134 HydrophobicContact CB-CB 4.28Å; L129-Q134 HydrophobicContact CD2-CB 4.1Å; L129-Q134 CarbonylContact O-C 3.43Å; L129-Q134 WeakPolarHBondContact O-CA 3.36Å; L129-Q134 PolarHBondContact O-N 3.11Å; L129-Q134 VanDerWaalsContact O-O 3.08Å; K130-Q134 PolarHBondContact N-O 2.92Å; Q132-Q134 VanDerWaalsContact C-N 3.27Å; Q132-Q134 HydrophobicContact CB-CG 4.49Å; Q132-Q134 PolarHBondContact O-N 2.92Å
135	A	98.3	Very high	98.3	Very high	65 Å²	65	69.2 Å²	69.2	54%	0.537	36%	0.359	S	S	.	.			trans	-137.9	156.7	172.6	0	0	0	0	0	110.2	P87	P87-A135 VanDerWaalsContact CG-O 3.3Å; P87-A135 WeakPolarHBondContact CG-O 3.43Å
136	P	98.6	Very high	98.3	Very high	14 Å²	14	69.1 Å²	69.1	9%	0.091	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-57.6	149.1	173	-21	30.3	0	0	0	111.8	I84 R120 L126 L129 T138	I84-P136 HydrophobicContact CG2-CB 4.23Å; I84-P136 WeakPolarHBondContact O-CA 3.35Å; R120-P136 HydrophobicContact CG-CB 4.16Å; L126-P136 HydrophobicContact CD2-CG 3.65Å; L129-P136 HydrophobicContact CD1-CB 4.29Å; L129-P136 HydrophobicContact CD1-CG 3.73Å; P136-T138 PolarHBondContact O-N 3.31Å
137	I	98.7	Very high	98.3	Very high	4 Å²	4	73.1 Å²	73.1	2%	0.021	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-66.4	127	178.3	-57.4	-57.4	0	0	0	110.3	F82 I84 P87 Y90 R120 Q141	F82-I137 HydrophobicContact CD2-CG1 4.47Å; F82-I137 HydrophobicContact CE2-CB 3.94Å; F82-I137 HydrophobicContact CE2-CG1 4.03Å; F82-I137 HydrophobicContact CE2-CG2 3.73Å; F82-I137 HydrophobicContact CZ-CG2 4.05Å; I84-I137 PolarHBondContact O-N 2.67Å; P87-I137 HydrophobicContact CB-CD1 4.14Å; P87-I137 HydrophobicContact CG-CD1 4.29Å; Y90-I137 HydrophobicContact CD1-CD1 3.96Å; Y90-I137 HydrophobicContact CD2-CD1 4.2Å; Y90-I137 HydrophobicContact CD2-CG1 4.22Å; Y90-I137 HydrophobicContact CD2-CG2 3.83Å; Y90-I137 HydrophobicContact CE2-CG2 4.07Å; Y90-I137 HydrophobicContact CG-CD1 3.75Å; Y90-I137 HydrophobicContact CG-CG1 4.04Å; Y90-I137 HydrophobicContact CG-CG2 4.45Å; R120-I137 PolarHBondContact NE-O 3Å; R120-I137 PolarHBondContact NH2-O 3.47Å; I137-Q141 HydrophobicContact CG2-CB 3.89Å
138	T	98.7	Very high	98.3	Very high	51 Å²	51	69.8 Å²	69.8	31%	0.313	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-80.6	155.2	176.8	62.6	0	0	0	0	111.5	P136 Q140 Q141 G142	P136-T138 PolarHBondContact O-N 3.31Å; T138-Q140 PolarHBondContact O-N 3.2Å; T138-Q141 PolarHBondContact O-N 3.45Å; T138-Q141 VanDerWaalsContact O-N 3.14Å; T138-Q141 VanDerWaalsContact OG1-CG 3.29Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.41Å; T138-Q141 PolarHBondContact OG1-N 2.6Å; T138-Q141 PolarHBondContact OG1-OE1 3.09Å; T138-G142 PolarHBondContact O-N 3.12Å; T138-G142 VanDerWaalsContact O-N 3.11Å
139	P	98.6	Very high	98.3	Very high	45 Å²	45	65 Å²	65	29%	0.292	35%	0.347	S	S	.	.	H	α-helix	trans	-55.8	-35.4	173.4	-26.6	35.4	0	0	0	113.1	G142 Q143 E156	P139-G142 PolarHBondContact O-N 3.26Å; P139-Q143 WeakPolarHBondContact O-CB 3.32Å; P139-Q143 VanDerWaalsContact O-CG 3.26Å; P139-Q143 WeakPolarHBondContact O-CG 3.47Å; P139-Q143 PolarHBondContact O-N 3.41Å; P139-E156 WeakPolarHBondContact CA-OE1 3.33Å
140	Q	98.8	Very high	98.2	Very high	130 Å²	130	72.8 Å²	72.8	61%	0.607	38%	0.383	S	S	*	.	H	α-helix	trans	-65.8	-41.3	178.7	-65.6	79.3	2	0	0	111.8	T138 Q143 A144	T138-Q140 PolarHBondContact O-N 3.2Å; Q140-Q143 PolarHBondContact O-N 2.82Å; Q140-A144 WeakPolarHBondContact O-CB 3.2Å; Q140-A144 PolarHBondContact O-N 3.37Å
141	Q	98.8	Very high	98.2	Very high	79 Å²	79	65.4 Å²	65.4	37%	0.369	35%	0.354	S	S	.	.	H	α-helix	trans	-63.1	-46.3	174	-75.5	167	-61.9	0	0	111.1	Y90 I137 T138 Q143 A144 L145	Y90-Q141 HydrophobicContact CE2-CB 4.28Å; Y90-Q141 PolarHBondContact OH-O 2.94Å; I137-Q141 HydrophobicContact CG2-CB 3.89Å; T138-Q141 PolarHBondContact O-N 3.45Å; T138-Q141 VanDerWaalsContact O-N 3.14Å; T138-Q141 VanDerWaalsContact OG1-CG 3.29Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.41Å; T138-Q141 PolarHBondContact OG1-N 2.6Å; T138-Q141 PolarHBondContact OG1-OE1 3.09Å; Q141-Q143 PolarHBondContact O-N 3.44Å; Q141-A144 WeakPolarHBondContact O-CB 3.44Å; Q141-A144 PolarHBondContact O-N 3.37Å; Q141-L145 PolarHBondContact O-N 3.46Å
142	G	98.8	Very high	98.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-60.5	-42.3	176.7	0	0	0	0	0	113.4	T138 P139 L145 A146 Y154	T138-G142 PolarHBondContact O-N 3.12Å; T138-G142 VanDerWaalsContact O-N 3.11Å; P139-G142 PolarHBondContact O-N 3.26Å; G142-L145 PolarHBondContact O-N 2.84Å; G142-A146 WeakPolarHBondContact O-CB 3.04Å; G142-A146 PolarHBondContact O-N 3.5Å; G142-Y154 VanDerWaalsContact CA-CZ 3.48Å
143	Q	98.7	Very high	98.1	Very high	103 Å²	103	63.9 Å²	63.9	48%	0.481	35%	0.346	S	S	.	.	H	α-helix	trans	-63.6	-40.2	173.5	-72.3	174.6	12.7	0	0	112.6	P139 Q140 Q141 A146 K147 Y154	P139-Q143 WeakPolarHBondContact O-CB 3.32Å; P139-Q143 VanDerWaalsContact O-CG 3.26Å; P139-Q143 WeakPolarHBondContact O-CG 3.47Å; P139-Q143 PolarHBondContact O-N 3.41Å; Q140-Q143 PolarHBondContact O-N 2.82Å; Q141-Q143 PolarHBondContact O-N 3.44Å; Q143-A146 PolarHBondContact O-N 2.98Å; Q143-K147 WeakPolarHBondContact O-CG 3.43Å; Q143-K147 PolarHBondContact O-N 3.08Å; Q143-K147 VanDerWaalsContact O-N 3.14Å; Q143-Y154 HydrophobicContact CG-CD1 3.77Å; Q143-Y154 HydrophobicContact CG-CE1 4.48Å
144	A	98.6	Very high	98.2	Very high	43 Å²	43	61.7 Å²	61.7	36%	0.355	32%	0.315	S	S	.	.	H	α-helix	trans	-64	-44.7	177	0	0	0	0	0	111.2	Q140 Q141 K147 Q148	Q140-A144 WeakPolarHBondContact O-CB 3.2Å; Q140-A144 PolarHBondContact O-N 3.37Å; Q141-A144 WeakPolarHBondContact O-CB 3.44Å; Q141-A144 PolarHBondContact O-N 3.37Å; A144-K147 PolarHBondContact O-N 3.26Å; A144-Q148 VanDerWaalsContact O-CG 3.29Å; A144-Q148 WeakPolarHBondContact O-CG 3.19Å; A144-Q148 PolarHBondContact O-N 3.12Å
145	L	98.6	Very high	98.2	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-62.8	-44.3	176.2	-179.1	60.3	0	0	0	111.9	Y90 V93 R94 L112 Q141 G142 K147 Q148 I149	Y90-L145 HydrophobicContact CD2-CD2 3.48Å; Y90-L145 VanDerWaalsContact CD2-CD2 3.48Å; Y90-L145 HydrophobicContact CE1-CD2 4.5Å; Y90-L145 HydrophobicContact CE2-CB 3.63Å; Y90-L145 HydrophobicContact CE2-CD2 3.29Å; Y90-L145 HydrophobicContact CE2-CG 4.07Å; Y90-L145 HydrophobicContact CG-CD2 4.2Å; V93-L145 HydrophobicContact CB-CD2 3.87Å; V93-L145 HydrophobicContact CG1-CD1 4.47Å; V93-L145 HydrophobicContact CG1-CD2 3.9Å; V93-L145 HydrophobicContact CG1-CG 4.33Å; V93-L145 HydrophobicContact CG2-CD2 4.25Å; R94-L145 HydrophobicContact CB-CD1 4.43Å; L112-L145 HydrophobicContact CD1-CD2 4.4Å; L112-L145 HydrophobicContact CD2-CB 3.91Å; L112-L145 HydrophobicContact CD2-CD2 3.85Å; L112-L145 HydrophobicContact CD2-CG 3.75Å; Q141-L145 PolarHBondContact O-N 3.46Å; G142-L145 PolarHBondContact O-N 2.84Å; L145-K147 VanDerWaalsContact C-N 3.28Å; L145-K147 PolarHBondContact O-N 2.74Å; L145-Q148 WeakPolarHBondContact O-CB 3.35Å; L145-Q148 PolarHBondContact O-N 2.85Å; L145-I149 HydrophobicContact CD1-CG2 3.89Å; L145-I149 WeakPolarHBondContact O-CG1 3.31Å; L145-I149 PolarHBondContact O-N 2.97Å
146	A	98.6	Very high	98.2	Very high	7 Å²	7	57.8 Å²	57.8	6%	0.058	29%	0.286	C	S	.	.	H	α-helix	trans	-57.4	-41	176.6	0	0	0	0	0	112.5	L112 G142 Q143 H150 A151 Y154	L112-A146 HydrophobicContact CB-CB 4.28Å; L112-A146 HydrophobicContact CD2-CB 3.9Å; G142-A146 WeakPolarHBondContact O-CB 3.04Å; G142-A146 PolarHBondContact O-N 3.5Å; Q143-A146 PolarHBondContact O-N 2.98Å; A146-H150 PolarHBondContact O-N 3.14Å; A146-H150 VanDerWaalsContact O-N 3.14Å; A146-A151 HydrophobicContact CB-CB 4.07Å; A146-A151 PolarHBondContact O-N 3.43Å; A146-Y154 HydrophobicContact CB-CG 4.5Å
147	K	98.1	Very high	98.3	Very high	161 Å²	161	57.1 Å²	57.1	70%	0.7	28%	0.282	S	S	*	.	H	α-helix	trans	-64.2	-41.4	173.8	-70.8	175.5	-177.8	178.1	0	112	Q143 A144 L145 H150	Q143-K147 WeakPolarHBondContact O-CG 3.43Å; Q143-K147 PolarHBondContact O-N 3.08Å; Q143-K147 VanDerWaalsContact O-N 3.14Å; A144-K147 PolarHBondContact O-N 3.26Å; L145-K147 VanDerWaalsContact C-N 3.28Å; L145-K147 PolarHBondContact O-N 2.74Å; K147-H150 PolarHBondContact O-N 3.08Å
148	Q	97.5	Very high	98.2	Very high	96 Å²	96	57 Å²	57	45%	0.449	28%	0.281	S	S	.	.	H	α-helix	trans	-66.5	-36.2	-179	-73.2	165.7	-25	0	0	112.9	R94 A144 L145 H150	R94-Q148 VanDerWaalsContact NH2-NE2 3.19Å; A144-Q148 VanDerWaalsContact O-CG 3.29Å; A144-Q148 WeakPolarHBondContact O-CG 3.19Å; A144-Q148 PolarHBondContact O-N 3.12Å; L145-Q148 WeakPolarHBondContact O-CB 3.35Å; L145-Q148 PolarHBondContact O-N 2.85Å; Q148-H150 VanDerWaalsContact C-N 3.34Å
149	I	97.4	Very high	98.2	Very high	5 Å²	5	55 Å²	55	3%	0.026	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	9	178.5	73.7	175.6	0	0	0	112.9	V93 H98 L112 L145 A151	V93-I149 HydrophobicContact CG1-CD1 3.78Å; H98-I149 HydrophobicContact CB-CB 4.31Å; H98-I149 HydrophobicContact CB-CG2 4.14Å; H98-I149 PolarHBondContact NE2-O 2.89Å; L112-I149 HydrophobicContact CB-CD1 4.31Å; L112-I149 HydrophobicContact CD1-CD1 4.12Å; L112-I149 HydrophobicContact CD2-CD1 4.32Å; L112-I149 HydrophobicContact CG-CD1 4.49Å; L145-I149 HydrophobicContact CD1-CG2 3.89Å; L145-I149 WeakPolarHBondContact O-CG1 3.31Å; L145-I149 PolarHBondContact O-N 2.97Å; I149-A151 HydrophobicContact CD1-CB 4.16Å; I149-A151 HydrophobicContact CG1-CB 3.89Å; I149-A151 PolarHBondContact O-N 2.9Å; I149-A151 VanDerWaalsContact O-N 3.12Å
150	H	96.4	Very high	98.1	Very high	164 Å²	164	57.6 Å²	57.6	76%	0.759	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	32.6	-176.9	-54.6	-67.8	0	0	0	114.4	A146 K147 Q148	A146-H150 PolarHBondContact O-N 3.14Å; A146-H150 VanDerWaalsContact O-N 3.14Å; K147-H150 PolarHBondContact O-N 3.08Å; Q148-H150 VanDerWaalsContact C-N 3.34Å
151	A	97.8	Very high	98	Very high	16 Å²	16	57.3 Å²	57.3	13%	0.132	28%	0.28	C	S	.	.			trans	-64.3	140.6	173.8	0	0	0	0	0	110.2	I110 L112 A146 I149 R153	I110-A151 HydrophobicContact CG2-CB 4.41Å; I110-A151 CarbonylContact O-C 3.56Å; I110-A151 VanDerWaalsContact O-CA 3.23Å; I110-A151 WeakPolarHBondContact O-CA 3.45Å; I110-A151 WeakPolarHBondContact O-CB 3.42Å; L112-A151 HydrophobicContact CB-CB 4.08Å; A146-A151 HydrophobicContact CB-CB 4.07Å; A146-A151 PolarHBondContact O-N 3.43Å; I149-A151 HydrophobicContact CD1-CB 4.16Å; I149-A151 HydrophobicContact CG1-CB 3.89Å; I149-A151 PolarHBondContact O-N 2.9Å; I149-A151 VanDerWaalsContact O-N 3.12Å; A151-R153 PolarHBondContact O-N 3.32Å
152	V	96.9	Very high	97.8	Very high	74 Å²	74	58.5 Å²	58.5	45%	0.448	29%	0.285	S	S	.	.	S	Bend	trans	-65.2	-30.6	179.9	-56.3	0	0	0	0	111.5	P109 I110 L111 A175	P109-V152 HydrophobicContact CB-CG1 3.74Å; I110-V152 WeakPolarHBondContact O-CG2 3.47Å; I110-V152 PolarHBondContact O-N 3.49Å; L111-V152 HydrophobicContact CD1-CG2 3.51Å; L111-V152 HydrophobicContact CG-CG2 3.93Å; V152-A175 HydrophobicContact CG2-CB 3.87Å
153	R	97.4	Very high	97.8	Very high	137 Å²	137	61.5 Å²	61.5	52%	0.517	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	145.4	179.7	-162.3	69.1	-177.7	-169.1	-3.1	111.2	L111 L112 A151 L155	L111-R153 HydrophobicContact CG-CB 4.47Å; L112-R153 PolarHBondContact N-O 2.99Å; A151-R153 PolarHBondContact O-N 3.32Å; R153-L155 HydrophobicContact CG-CD1 4.21Å; R153-L155 HydrophobicContact CG-CD2 4.19Å; R153-L155 HydrophobicContact CG-CG 3.93Å
154	Y	98.8	Very high	97.8	Very high	27 Å²	27	57.1 Å²	57.1	11%	0.106	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.7	161	178.7	-123	0	0	0	109.9	F82 L112 G142 Q143 A146 E156	F82-Y154 AromaticContact CE1-CE2 3.8Å; F82-Y154 HydrophobicContact CE1-CE2 3.8Å; F82-Y154 AromaticContact CZ-CE2 3.85Å; F82-Y154 HydrophobicContact CZ-CE2 3.85Å; L112-Y154 HydrophobicContact CB-CD2 4.12Å; L112-Y154 HydrophobicContact CD2-CD2 3.88Å; L112-Y154 HydrophobicContact CD2-CE2 4.34Å; L112-Y154 HydrophobicContact CG-CD2 3.84Å; L112-Y154 HydrophobicContact CG-CE2 4.27Å; L112-Y154 WeakPolarHBondContact O-CA 3.36Å; L112-Y154 WeakPolarHBondContact O-CD2 3.35Å; G142-Y154 VanDerWaalsContact CA-CZ 3.48Å; Q143-Y154 HydrophobicContact CG-CD1 3.77Å; Q143-Y154 HydrophobicContact CG-CE1 4.48Å; A146-Y154 HydrophobicContact CB-CG 4.5Å; Y154-E156 HydrophobicContact CE1-CG 3.76Å; Y154-E156 HydrophobicContact CE2-CG 4.33Å; Y154-E156 VanDerWaalsContact CZ-CG 3.49Å; Y154-E156 WeakPolarHBondContact OH-CG 3.49Å; Y154-E156 PolarHBondContact OH-OE1 2.9Å
155	L	98.8	Very high	97.8	Very high	26 Å²	26	55.3 Å²	55.3	14%	0.136	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	157.8	176.1	-65.4	158.4	0	0	0	109.7	L111 L112 V113 G114 R153 V168 E171	L111-L155 HydrophobicContact CD2-CD1 3.92Å; L112-L155 PolarHBondContact O-N 3.41Å; V113-L155 CarbonylContact C-O 3.41Å; V113-L155 WeakPolarHBondContact CA-O 3.32Å; V113-L155 HydrophobicContact CG2-CB 4.45Å; G114-L155 PolarHBondContact N-O 2.8Å; R153-L155 HydrophobicContact CG-CD1 4.21Å; R153-L155 HydrophobicContact CG-CD2 4.19Å; R153-L155 HydrophobicContact CG-CG 3.93Å; L155-V168 HydrophobicContact CB-CG2 4.08Å; L155-V168 HydrophobicContact CD1-CG2 4.24Å; L155-E171 HydrophobicContact CD1-CB 3.68Å; L155-E171 HydrophobicContact CD1-CG 3.71Å; L155-E171 HydrophobicContact CD2-CG 4.25Å
156	E	98.8	Very high	97.7	Very high	30 Å²	30	61.4 Å²	61.4	14%	0.14	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144	171.6	-63.4	-177.6	174.8	0	0	109.5	I84 G114 K117 R120 P139 Y154	I84-E156 HydrophobicContact CD1-CB 4.13Å; I84-E156 HydrophobicContact CD1-CG 4Å; G114-E156 CarbonylContact O-C 3.47Å; G114-E156 VanDerWaalsContact O-CA 3.22Å; G114-E156 WeakPolarHBondContact O-CA 3.24Å; K117-E156 HydrophobicContact CD-CB 4Å; K117-E156 HydrophobicContact CG-CB 4.38Å; R120-E156 IonicContact CZ-OE1 3.52Å; R120-E156 IonicContact CZ-OE2 3.37Å; R120-E156 VanDerWaalsContact CZ-OE2 3.28Å; R120-E156 IonicContact NH1-OE1 3.92Å; R120-E156 IonicContact NH1-OE2 2.64Å; R120-E156 PolarHBondContact NH1-OE2 3.24Å; R120-E156 IonicContact NH2-OE1 3.3Å; R120-E156 PolarHBondContact NH2-OE1 3.49Å; R120-E156 IonicContact NH2-OE2 2.8Å; R120-E156 PolarHBondContact NH2-OE2 2.83Å; P139-E156 WeakPolarHBondContact CA-OE1 3.33Å; Y154-E156 HydrophobicContact CE1-CG 3.76Å; Y154-E156 HydrophobicContact CE2-CG 4.33Å; Y154-E156 VanDerWaalsContact CZ-CG 3.49Å; Y154-E156 WeakPolarHBondContact OH-CG 3.49Å; Y154-E156 PolarHBondContact OH-OE1 2.9Å
157	C	98.8	Very high	97.7	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.007	31%	0.314	C	S	.	.			trans	-144.5	155.3	178.8	66.4	0	0	0	0	112.3	G114 T115 K116 K117 D163 V168	G114-C157 PolarHBondContact O-N 3.26Å; T115-C157 CarbonylContact C-O 3.47Å; K116-C157 PolarHBondContact N-O 3Å; K117-C157 WeakPolarHBondContact CB-O 3.36Å; K117-C157 PolarHBondContact N-O 3.07Å; C157-D163 CarbonylContact C-O 3.57Å; C157-D163 WeakPolarHBondContact CA-O 3.41Å; C157-D163 VanDerWaalsContact CB-O 3.26Å; C157-D163 WeakPolarHBondContact CB-O 3.4Å; C157-V168 HydrophobicContact CB-CG2 4.27Å
158	S	98.5	Very high	97.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-117.7	108.6	162.3	176.6	0	0	0	0	108.5	D118 L160 Q161 Q162 D163	D118-S158 VanDerWaalsContact CG-OG 3.26Å; D118-S158 WeakPolarHBondContact OD1-CB 3.32Å; D118-S158 PolarHBondContact OD1-OG 2.91Å; S158-L160 PolarHBondContact O-N 3.4Å; S158-L160 PolarHBondContact OG-N 3.29Å; S158-Q161 PolarHBondContact O-N 3.17Å; S158-Q161 PolarHBondContact OG-N 3.15Å; S158-Q162 CarbonylContact O-C 3.59Å; S158-Q162 WeakPolarHBondContact O-CA 3.39Å; S158-Q162 PolarHBondContact O-N 2.97Å; S158-D163 PolarHBondContact N-O 2.79Å; S158-D163 PolarHBondContact O-N 3.13Å
159	A	97.6	Very high	97.7	Very high	10 Å²	10	53.6 Å²	53.6	8%	0.083	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-35.1	171.7	0	0	0	0	0	111.1	C18 C22 F28 Q162	C18-A159 HydrophobicContact CB-CB 3.93Å; C22-A159 HydrophobicContact CB-CB 4.3Å; C22-A159 PolarHBondContact SG-O 3.35Å; F28-A159 HydrophobicContact CD2-CB 4.08Å; F28-A159 HydrophobicContact CE2-CB 4.01Å; A159-Q162 PolarHBondContact O-N 2.67Å
160	L	96.3	Very high	97.7	Very high	100 Å²	100	54.5 Å²	54.5	52%	0.524	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-44	179.3	179.6	62.8	0	0	0	112.1	F28 S158	F28-L160 HydrophobicContact CD1-CD1 4.03Å; F28-L160 HydrophobicContact CD2-CB 4.2Å; F28-L160 HydrophobicContact CD2-CD1 4.38Å; F28-L160 HydrophobicContact CE1-CD1 4.19Å; F28-L160 HydrophobicContact CE2-CB 4.08Å; F28-L160 HydrophobicContact CG-CD1 4.13Å; F28-L160 HydrophobicContact CZ-CD1 4.42Å; S158-L160 PolarHBondContact O-N 3.4Å; S158-L160 PolarHBondContact OG-N 3.29Å
161	Q	96.7	Very high	97.8	Very high	124 Å²	124	49.1 Å²	49.1	58%	0.579	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	0.3	-180	-60.8	-178.8	-32.9	0	0	113.3	D118 S158 D163	D118-Q161 HydrophobicContact CB-CG 4.06Å; S158-Q161 PolarHBondContact O-N 3.17Å; S158-Q161 PolarHBondContact OG-N 3.15Å; Q161-D163 HydrophobicContact CB-CB 4.35Å; Q161-D163 PolarHBondContact O-N 3.34Å; Q161-D163 VanDerWaalsContact O-N 3.14Å
162	Q	95.6	Very high	97.8	Very high	103 Å²	103	48.3 Å²	48.3	48%	0.481	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	22.1	-170.2	-55.9	-169.5	-11.3	0	0	114.4	N26 S158 A159	N26-Q162 PolarHBondContact O-NE2 3.25Å; S158-Q162 CarbonylContact O-C 3.59Å; S158-Q162 WeakPolarHBondContact O-CA 3.39Å; S158-Q162 PolarHBondContact O-N 2.97Å; A159-Q162 PolarHBondContact O-N 2.67Å
163	D	98.1	Very high	97.8	Very high	64 Å²	64	44.8 Å²	44.8	34%	0.342	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-85.3	126.6	179.3	179.2	26.9	0	0	0	110	K117 C157 S158 Q161 V165	K117-D163 WeakPolarHBondContact CD-OD2 3.48Å; K117-D163 WeakPolarHBondContact CE-OD2 3.35Å; K117-D163 IonicContact NZ-OD1 3.01Å; K117-D163 IonicContact NZ-OD2 3.84Å; K117-D163 PolarHBondContact NZ-OD2 2.7Å; C157-D163 CarbonylContact C-O 3.57Å; C157-D163 WeakPolarHBondContact CA-O 3.41Å; C157-D163 VanDerWaalsContact CB-O 3.26Å; C157-D163 WeakPolarHBondContact CB-O 3.4Å; S158-D163 PolarHBondContact N-O 2.79Å; S158-D163 PolarHBondContact O-N 3.13Å; Q161-D163 HydrophobicContact CB-CB 4.35Å; Q161-D163 PolarHBondContact O-N 3.34Å; Q161-D163 VanDerWaalsContact O-N 3.14Å; D163-V165 PolarHBondContact O-N 2.87Å
164	G	98	Very high	97.8	Very high	10 Å²	10	41.5 Å²	41.5	10%	0.103	20%	0.202	C	C	.	.	S	Bend	trans	74.7	-1.5	175.1	0	0	0	0	0	116	E167 V168	G164-E167 WeakPolarHBondContact CA-OE2 3.45Å; G164-V168 WeakPolarHBondContact O-CG2 3.2Å; G164-V168 PolarHBondContact O-N 2.66Å
165	V	98.1	Very high	97.7	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.03	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-45.9	-173.9	171.4	0	0	0	0	111.9	L19 C22 D163 E167 F169	L19-V165 HydrophobicContact CD1-CB 4.34Å; L19-V165 HydrophobicContact CD1-CG1 4.02Å; L19-V165 HydrophobicContact CD1-CG2 4.12Å; C22-V165 HydrophobicContact CB-CG1 4.23Å; D163-V165 PolarHBondContact O-N 2.87Å; V165-E167 VanDerWaalsContact C-N 3.33Å; V165-E167 PolarHBondContact N-OE2 2.86Å; V165-F169 WeakPolarHBondContact O-CD2 3.45Å
166	K	96.9	Very high	97.6	Very high	129 Å²	129	41.1 Å²	41.1	56%	0.561	21%	0.205	S	C	*	.	H	α-helix	trans	-70.2	-36	-178.9	-71.9	178.7	176.9	173.1	0	111	V168 F169 A170	K166-V168 VanDerWaalsContact C-N 3.35Å; K166-V168 PolarHBondContact O-N 2.87Å; K166-F169 PolarHBondContact O-N 3.46Å; K166-A170 WeakPolarHBondContact O-CB 3.4Å; K166-A170 PolarHBondContact O-N 2.85Å
167	E	98.1	Very high	97.4	Very high	100 Å²	100	40.3 Å²	40.3	47%	0.467	20%	0.202	S	C	.	.	H	α-helix	trans	-62.4	-41.5	179.4	-65.4	71	-161.1	0	0	111.1	G164 V165 F169 A170 E171	G164-E167 WeakPolarHBondContact CA-OE2 3.45Å; V165-E167 VanDerWaalsContact C-N 3.33Å; V165-E167 PolarHBondContact N-OE2 2.86Å; E167-F169 VanDerWaalsContact C-N 3.34Å; E167-F169 PolarHBondContact O-N 2.88Å; E167-A170 PolarHBondContact O-N 3.23Å; E167-E171 WeakPolarHBondContact O-CB 3.45Å; E167-E171 WeakPolarHBondContact O-CG 3.37Å; E167-E171 PolarHBondContact O-N 3.28Å
168	V	98.5	Very high	97	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-53.3	-51	175.1	167.8	0	0	0	0	111.7	L19 V79 V113 L155 C157 G164 K166 A172	L19-V168 HydrophobicContact CD2-CG1 4.29Å; V79-V168 HydrophobicContact CG1-CG1 4.43Å; V113-V168 HydrophobicContact CG1-CG2 3.95Å; V113-V168 HydrophobicContact CG2-CG1 3.9Å; V113-V168 HydrophobicContact CG2-CG2 4.04Å; L155-V168 HydrophobicContact CB-CG2 4.08Å; L155-V168 HydrophobicContact CD1-CG2 4.24Å; C157-V168 HydrophobicContact CB-CG2 4.27Å; G164-V168 WeakPolarHBondContact O-CG2 3.2Å; G164-V168 PolarHBondContact O-N 2.66Å; K166-V168 VanDerWaalsContact C-N 3.35Å; K166-V168 PolarHBondContact O-N 2.87Å; V168-A172 WeakPolarHBondContact O-CB 3.49Å; V168-A172 PolarHBondContact O-N 3.33Å
169	F	97.9	Very high	96.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-80.4	-28.3	-175.9	-64.5	-69.1	0	0	0	113.1	L19 L20 Y23 L53 L55 V165 K166 E167 A172 V173	L19-F169 HydrophobicContact CD1-CE2 3.84Å; L19-F169 HydrophobicContact CD1-CZ 4.34Å; L19-F169 HydrophobicContact CD2-CE2 4.41Å; L19-F169 HydrophobicContact CD2-CZ 4.12Å; L19-F169 HydrophobicContact CG-CE2 3.8Å; L19-F169 HydrophobicContact CG-CZ 3.81Å; L20-F169 HydrophobicContact CD2-CE1 3.89Å; L20-F169 HydrophobicContact CD2-CZ 3.61Å; Y23-F169 AromaticContact CD1-CD2 3.78Å; Y23-F169 HydrophobicContact CD1-CD2 3.78Å; Y23-F169 HydrophobicContact CD1-CE2 4.18Å; Y23-F169 HydrophobicContact CD1-CG 4.06Å; Y23-F169 HydrophobicContact CD2-CB 4.03Å; Y23-F169 AromaticContact CD2-CD2 3.38Å; Y23-F169 HydrophobicContact CD2-CD2 3.38Å; Y23-F169 HydrophobicContact CD2-CE2 4.21Å; Y23-F169 AromaticContact CD2-CG 4Å; Y23-F169 HydrophobicContact CD2-CG 4Å; Y23-F169 HydrophobicContact CE1-CB 4.15Å; Y23-F169 HydrophobicContact CE1-CD2 4.26Å; Y23-F169 HydrophobicContact CE1-CG 4.12Å; Y23-F169 HydrophobicContact CE2-CB 3.62Å; Y23-F169 AromaticContact CE2-CD2 3.92Å; Y23-F169 HydrophobicContact CE2-CD2 3.92Å; Y23-F169 HydrophobicContact CE2-CG 4.07Å; Y23-F169 HydrophobicContact CG-CB 4.44Å; Y23-F169 AromaticContact CG-CD2 3.29Å; Y23-F169 HydrophobicContact CG-CD2 3.29Å; Y23-F169 AromaticContact CG-CE2 3.72Å; Y23-F169 HydrophobicContact CG-CE2 3.72Å; Y23-F169 AromaticContact CG-CG 3.98Å; Y23-F169 HydrophobicContact CG-CG 3.98Å; L53-F169 HydrophobicContact CD2-CB 3.87Å; L53-F169 HydrophobicContact CD2-CD1 4.04Å; L53-F169 HydrophobicContact CD2-CG 4.27Å; L55-F169 HydrophobicContact CD2-CD1 3.57Å; L55-F169 HydrophobicContact CD2-CE1 3.42Å; L55-F169 VanDerWaalsContact CD2-CE1 3.42Å; L55-F169 HydrophobicContact CD2-CZ 4.3Å; V165-F169 WeakPolarHBondContact O-CD2 3.45Å; K166-F169 PolarHBondContact O-N 3.46Å; E167-F169 VanDerWaalsContact C-N 3.34Å; E167-F169 PolarHBondContact O-N 2.88Å; F169-A172 PolarHBondContact O-N 2.94Å; F169-V173 WeakPolarHBondContact O-CG2 3.22Å; F169-V173 PolarHBondContact O-N 3.19Å
170	A	97.6	Very high	95.3	Very high	24 Å²	24	53.6 Å²	53.6	20%	0.198	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-44.6	169.6	0	0	0	0	0	111.4	V46 K166 E167 V173 R174	V46-A170 HydrophobicContact CG2-CB 4.16Å; K166-A170 WeakPolarHBondContact O-CB 3.4Å; K166-A170 PolarHBondContact O-N 2.85Å; E167-A170 PolarHBondContact O-N 3.23Å; A170-V173 PolarHBondContact O-N 3.18Å; A170-R174 WeakPolarHBondContact O-CB 3.4Å; A170-R174 PolarHBondContact O-N 2.9Å
171	E	98.1	Very high	93.6	Very high	51 Å²	51	54.5 Å²	54.5	24%	0.238	29%	0.293	C	S	.	.	H	α-helix	trans	-68.3	-35	175.3	-67.9	-58.3	157.4	0	0	112.3	L111 L155 E167 R174 A175	L111-E171 HydrophobicContact CD2-CB 3.77Å; L155-E171 HydrophobicContact CD1-CB 3.68Å; L155-E171 HydrophobicContact CD1-CG 3.71Å; L155-E171 HydrophobicContact CD2-CG 4.25Å; E167-E171 WeakPolarHBondContact O-CB 3.45Å; E167-E171 WeakPolarHBondContact O-CG 3.37Å; E167-E171 PolarHBondContact O-N 3.28Å; E171-R174 PolarHBondContact O-N 2.88Å; E171-R174 IonicContact OE1-CZ 2.97Å; E171-R174 IonicContact OE1-NH1 3.97Å; E171-R174 PolarHBondContact OE1-NH1 2.82Å; E171-R174 IonicContact OE2-NH1 2.7Å; E171-R174 PolarHBondContact OE2-NH1 3.04Å; E171-A175 WeakPolarHBondContact O-CB 3.39Å; E171-A175 PolarHBondContact O-N 3.32Å
172	A	97.9	Very high	91.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-44.7	174.9	0	0	0	0	0	111.3	V77 V79 L111 V168 F169 A175	V77-A172 HydrophobicContact CG1-CB 4.1Å; V77-A172 HydrophobicContact CG2-CB 4.24Å; V79-A172 HydrophobicContact CG2-CB 4.45Å; L111-A172 HydrophobicContact CD1-CB 4.4Å; L111-A172 HydrophobicContact CD2-CB 4.04Å; V168-A172 WeakPolarHBondContact O-CB 3.49Å; V168-A172 PolarHBondContact O-N 3.33Å; F169-A172 PolarHBondContact O-N 2.94Å; A172-A175 PolarHBondContact O-N 3.24Å
173	V	97.7	Very high	90	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.4	-45.5	173.5	168.5	0	0	0	0	110.6	I4 V46 V51 L53 F169 A170 A175 V176 L177	I4-V173 HydrophobicContact CD1-CB 4.39Å; I4-V173 HydrophobicContact CD1-CG1 3.96Å; I4-V173 HydrophobicContact CD1-CG2 4.33Å; V46-V173 HydrophobicContact CB-CB 4.41Å; V46-V173 HydrophobicContact CB-CG1 3.75Å; V46-V173 HydrophobicContact CG1-CG1 4.23Å; V46-V173 HydrophobicContact CG2-CB 3.95Å; V46-V173 HydrophobicContact CG2-CG1 3.73Å; V51-V173 HydrophobicContact CG1-CG1 4.47Å; V51-V173 HydrophobicContact CG2-CG1 3.79Å; V51-V173 HydrophobicContact CG2-CG2 3.9Å; L53-V173 HydrophobicContact CD1-CG2 4Å; L53-V173 HydrophobicContact CD2-CG2 4.07Å; L53-V173 HydrophobicContact CG-CG2 4.48Å; F169-V173 WeakPolarHBondContact O-CG2 3.22Å; F169-V173 PolarHBondContact O-N 3.19Å; A170-V173 PolarHBondContact O-N 3.18Å; V173-A175 VanDerWaalsContact C-N 3.31Å; V173-A175 PolarHBondContact O-N 3.29Å; V173-V176 PolarHBondContact O-N 3.38Å; V173-V176 VanDerWaalsContact O-N 3.14Å; V173-L177 HydrophobicContact CG1-CD1 3.5Å; V173-L177 HydrophobicContact CG1-CG 3.95Å; V173-L177 WeakPolarHBondContact O-CB 3.32Å; V173-L177 WeakPolarHBondContact O-CG 3.46Å; V173-L177 PolarHBondContact O-N 3.03Å
174	R	97.1	Very high	88	Confident	67 Å²	67	65 Å²	65	25%	0.253	33%	0.332	S	S	.	.	H	α-helix	trans	-60.5	-38.8	179.4	-170.7	174.2	-66.2	109.3	-0.7	112.6	V46 D47 A170 E171 V176 L177 N178	V46-R174 HydrophobicContact CG1-CB 4.25Å; D47-R174 IonicContact OD1-CZ 2.87Å; D47-R174 IonicContact OD1-NE 3.83Å; D47-R174 PolarHBondContact OD1-NE 2.74Å; D47-R174 IonicContact OD1-NH2 2.85Å; D47-R174 PolarHBondContact OD1-NH2 2.87Å; D47-R174 IonicContact OD2-CZ 3.21Å; D47-R174 IonicContact OD2-NE 3.6Å; D47-R174 PolarHBondContact OD2-NE 2.81Å; D47-R174 IonicContact OD2-NH2 2.85Å; A170-R174 WeakPolarHBondContact O-CB 3.4Å; A170-R174 PolarHBondContact O-N 2.9Å; E171-R174 PolarHBondContact O-N 2.88Å; E171-R174 IonicContact OE1-CZ 2.97Å; E171-R174 IonicContact OE1-NH1 3.97Å; E171-R174 PolarHBondContact OE1-NH1 2.82Å; E171-R174 IonicContact OE2-NH1 2.7Å; E171-R174 PolarHBondContact OE2-NH1 3.04Å; R174-V176 PolarHBondContact O-N 2.84Å; R174-L177 PolarHBondContact O-N 2.86Å; R174-N178 HydrophobicContact CG-CB 4.39Å; R174-N178 PolarHBondContact O-N 2.92Å
175	A	96.4	Very high	85.6	Confident	15 Å²	15	68.1 Å²	68.1	12%	0.124	36%	0.364	C	S	.	.	H	α-helix	trans	-59.6	-31.6	177.7	0	0	0	0	0	113	P109 L111 V152 E171 A172 V173	P109-A175 HydrophobicContact CB-CB 4.3Å; P109-A175 HydrophobicContact CG-CB 4.45Å; L111-A175 HydrophobicContact CD1-CB 4.03Å; V152-A175 HydrophobicContact CG2-CB 3.87Å; E171-A175 WeakPolarHBondContact O-CB 3.39Å; E171-A175 PolarHBondContact O-N 3.32Å; A172-A175 PolarHBondContact O-N 3.24Å; V173-A175 VanDerWaalsContact C-N 3.31Å; V173-A175 PolarHBondContact O-N 3.29Å
176	V	96.3	Very high	83	Confident	30 Å²	30	79.3 Å²	79.3	18%	0.182	41%	0.406	C	S	.	.	H	α-helix	trans	-84.6	-40.7	176.9	-179.5	0	0	0	0	111.4	I4 N76 V77 V173 R174	I4-V176 HydrophobicContact CD1-CB 4.07Å; I4-V176 HydrophobicContact CD1-CG1 4.07Å; I4-V176 HydrophobicContact CG1-CG1 4.24Å; I4-V176 HydrophobicContact CG2-CB 4.48Å; I4-V176 HydrophobicContact CG2-CG2 4Å; N76-V176 HydrophobicContact CB-CG1 4.13Å; N76-V176 HydrophobicContact CB-CG2 3.92Å; N76-V176 WeakPolarHBondContact O-CG2 3.27Å; V77-V176 HydrophobicContact CB-CG2 3.77Å; V77-V176 HydrophobicContact CG1-CG2 4.03Å; V173-V176 PolarHBondContact O-N 3.38Å; V173-V176 VanDerWaalsContact O-N 3.14Å; R174-V176 PolarHBondContact O-N 2.84Å
177	L	94.6	Very high	80.6	Confident	14 Å²	14	78.1 Å²	78.1	7%	0.073	41%	0.414	C	S	.	.	H	α-helix	trans	-77.5	-27.1	-174.6	-73.2	-170.1	0	0	0	114	I4 R49 V51 V173 R174	I4-L177 HydrophobicContact CD1-CD2 4.19Å; I4-L177 HydrophobicContact CD1-CG 4.19Å; R49-L177 HydrophobicContact CB-CD1 4.16Å; R49-L177 PolarHBondContact NH1-O 3.11Å; R49-L177 VanDerWaalsContact NH1-O 3.08Å; V51-L177 HydrophobicContact CG1-CD1 4.11Å; V51-L177 HydrophobicContact CG1-CD2 4.28Å; V173-L177 HydrophobicContact CG1-CD1 3.5Å; V173-L177 HydrophobicContact CG1-CG 3.95Å; V173-L177 WeakPolarHBondContact O-CB 3.32Å; V173-L177 WeakPolarHBondContact O-CG 3.46Å; V173-L177 PolarHBondContact O-N 3.03Å; R174-L177 PolarHBondContact O-N 2.86Å
178	N	91.4	Very high	78	Confident	72 Å²	72	78.6 Å²	78.6	39%	0.385	43%	0.427	S	S	.	.	S	Bend	trans	-132.2	66.9	-178.4	-61.2	-32.4	0	0	0	109.8	D47 R49 R174 T180	D47-N178 PolarHBondContact OD2-ND2 3.38Å; D47-N178 VanDerWaalsContact OD2-ND2 3.12Å; R49-N178 PolarHBondContact NH2-OD1 3.19Å; R174-N178 HydrophobicContact CG-CB 4.39Å; R174-N178 PolarHBondContact O-N 2.92Å; N178-T180 PolarHBondContact O-N 3.45Å
179	P	83.6	Confident	75.8	Confident	102 Å²	102	83.8 Å²	83.8	66%	0.662	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-63.2	126.5	-175.9	26.2	-33.3	0	0	0	110.3
180	T	75.6	Confident	73.3	Confident	116 Å²	116	91.5 Å²	91.5	71%	0.712	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-81	134.8	172.2	-40.8	0	0	0	0	108.1	N178 I182	N178-T180 PolarHBondContact O-N 3.45Å; T180-I182 PolarHBondContact O-N 2.68Å
181	P	62.3	Low	71.1	Confident	118 Å²	118	101.2 Å²	101.2	77%	0.766	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-57.7	117.8	179.4	-10.8	14	0	0	0	110.9	K183	P181-K183 PolarHBondContact O-N 3.2Å; P181-K183 VanDerWaalsContact O-N 3.15Å
182	I	61.1	Low	69.8	Low	122 Å²	122	103.8 Å²	103.8	63%	0.626	56%	0.562	S	S	*	*			trans	-67.9	112.4	174	-57.3	173.8	0	0	0	107.2	T180 R184	T180-I182 PolarHBondContact O-N 2.68Å; I182-R184 VanDerWaalsContact C-N 3.28Å; I182-R184 HydrophobicContact CG2-CG 4.45Å; I182-R184 PolarHBondContact O-N 3.23Å
183	K	54.8	Low	68.3	Low	206 Å²	206	109.2 Å²	109.2	90%	0.896	59%	0.591	S	S	*	*			trans	-69.5	86.9	171.9	-68.5	-173.5	-178.5	-178	0	108.7	P181 G185	P181-K183 PolarHBondContact O-N 3.2Å; P181-K183 VanDerWaalsContact O-N 3.15Å; K183-G185 PolarHBondContact O-N 2.87Å; K183-G185 VanDerWaalsContact O-N 3.12Å
184	R	55.6	Low	66.6	Low	183 Å²	183	115.3 Å²	115.3	69%	0.691	62%	0.624	S	S	*	*			trans	-63.9	111.9	167.9	-71.2	-174.1	175.4	-179.4	-0.1	107.7	D107 I182 R186	D107-R184 IonicContact OD1-CZ 3.28Å; D107-R184 IonicContact OD1-NH2 2.69Å; D107-R184 PolarHBondContact OD1-NH2 3.25Å; D107-R184 IonicContact OD2-NH2 2.69Å; I182-R184 VanDerWaalsContact C-N 3.28Å; I182-R184 HydrophobicContact CG2-CG 4.45Å; I182-R184 PolarHBondContact O-N 3.23Å; R184-R186 PolarHBondContact O-N 3.46Å; R184-R186 VanDerWaalsContact O-N 3.15Å
185	G	48.4	Very low	64.8	Low	76 Å²	76	118.1 Å²	118.1	78%	0.784	65%	0.646	S	S	*	*			trans	-56.7	119.3	170.4	0	0	0	0	0	108.3	K183 S187	K183-G185 PolarHBondContact O-N 2.87Å; K183-G185 VanDerWaalsContact O-N 3.12Å; G185-S187 PolarHBondContact O-N 2.64Å
186	R	43.9	Very low	62.9	Low	240 Å²	240	124.6 Å²	124.6	91%	0.906	68%	0.679	S	S	*	*			trans	-61.5	113.3	172.5	-73	-180	172.3	178.2	-3	106.9	R184 C188	R184-R186 PolarHBondContact O-N 3.46Å; R184-R186 VanDerWaalsContact O-N 3.15Å; R186-C188 VanDerWaalsContact C-N 3.33Å; R186-C188 PolarHBondContact O-N 2.89Å
187	S	46.2	Very low	60.6	Low	104 Å²	104	130.9 Å²	130.9	73%	0.727	71%	0.712	S	S	*	*			trans	-61	104.2	161.5	-177.8	0	0	0	0	106.2	G185 V189	G185-S187 PolarHBondContact O-N 2.64Å; S187-V189 VanDerWaalsContact C-N 3.33Å; S187-V189 PolarHBondContact O-N 3.02Å; S187-V189 VanDerWaalsContact O-N 3.08Å
188	C	42.7	Very low	58.2	Low	111 Å²	111	139.2 Å²	139.2	75%	0.75	76%	0.758	S	S	*	*			trans	-74.8	95.1	172.2	-141.7	0	0	0	0	105.5	R186 L190	R186-C188 VanDerWaalsContact C-N 3.33Å; R186-C188 PolarHBondContact O-N 2.89Å; C188-L190 VanDerWaalsContact C-N 3.34Å; C188-L190 PolarHBondContact O-N 3.44Å; C188-L190 VanDerWaalsContact O-N 3.11Å
189	V	52	Low	55.7	Low	109 Å²	109	144.4 Å²	144.4	66%	0.661	79%	0.786	S	S	*	*			trans	-74	97.8	166.4	-173.4	0	0	0	0	105.5	S187 L191	S187-V189 VanDerWaalsContact C-N 3.33Å; S187-V189 PolarHBondContact O-N 3.02Å; S187-V189 VanDerWaalsContact O-N 3.08Å; V189-L191 HydrophobicContact CG1-CG 4.31Å; V189-L191 PolarHBondContact O-N 3.21Å
190	L	46	Very low	53.3	Low	161 Å²	161	147.9 Å²	147.9	84%	0.843	80%	0.797	S	S	*	*			trans	-71.6	105.6	163.1	-74.8	162.8	0	0	0	106.1	C188	C188-L190 VanDerWaalsContact C-N 3.34Å; C188-L190 PolarHBondContact O-N 3.44Å; C188-L190 VanDerWaalsContact O-N 3.11Å
191	L	51.5	Low	51.3	Low	229 Å²	229	150.8 Å²	150.8	100%	1.199	80%	0.804	S	S	*	*			trans	-82	0	161.7	-77.3	167.8	0	0	0	109.2	V189	V189-L191 HydrophobicContact CG1-CG 4.31Å; V189-L191 PolarHBondContact O-N 3.21Å

Retrieved 191 of 191 residues in 38 ms (Link to these results)

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