A0A087X702_POEFO 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 A0A087X702, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, 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	65	Low	94.4	Very high	149 Å²	149	31.2 Å²	31.2	73%	0.734	16%	0.159	S	C	*	.				0	125.8	0	-164.1	159.6	102.6	0	0	107.1	Q43 S52	M1-Q43 HydrophobicContact CE-CG 4.3Å; M1-S52 VanDerWaalsContact CE-CB 3.45Å
2	Q	90.6	Very high	94.5	Very high	80 Å²	80	31.1 Å²	31.1	37%	0.374	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	134.1	-179.3	-174.9	172.3	13.4	0	0	109.1	I51 S52 L177	Q2-I51 HydrophobicContact CB-CD1 3.9Å; Q2-I51 HydrophobicContact CG-CD1 4.32Å; Q2-S52 PolarHBondContact O-N 2.96Å; Q2-L177 VanDerWaalsContact CD-CD2 3.4Å; Q2-L177 VanDerWaalsContact OE1-CD2 3.29Å
3	T	95.4	Very high	94.5	Very high	67 Å²	67	33.2 Å²	33.2	41%	0.411	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.9	-179.7	-58	0	0	0	0	109.6	S52 N54	T3-S52 CarbonylContact C-O 3.52Å; T3-S52 VanDerWaalsContact CA-O 3.3Å; T3-S52 WeakPolarHBondContact CA-O 3.4Å; T3-N54 VanDerWaalsContact CG2-ND2 3.32Å; T3-N54 WeakPolarHBondContact CG2-ND2 3.33Å
4	V	97.8	Very high	94.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.1	175	175.2	0	0	0	0	108.2	I51 S52 L53 N54 N76 V77 V173 Y176	V4-I51 HydrophobicContact CB-CG2 4Å; V4-I51 HydrophobicContact CG2-CG2 3.54Å; V4-S52 PolarHBondContact N-O 3.43Å; V4-L53 HydrophobicContact CB-CD1 4.15Å; V4-L53 HydrophobicContact CG1-CD1 3.98Å; V4-N54 PolarHBondContact O-N 2.96Å; V4-N76 WeakPolarHBondContact CA-OD1 3.26Å; V4-N76 HydrophobicContact CG1-CB 3.99Å; V4-V77 HydrophobicContact CG1-CG1 4.16Å; V4-V173 HydrophobicContact CB-CG2 4.43Å; V4-V173 HydrophobicContact CG1-CG2 4.31Å; V4-Y176 HydrophobicContact CG1-CD1 4.47Å; V4-Y176 HydrophobicContact CG2-CD1 3.77Å; V4-Y176 HydrophobicContact CG2-CE1 4.21Å
5	K	98	Very high	95	Very high	23 Å²	23	29.8 Å²	29.8	10%	0.1	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	116.3	170.7	175.7	170.1	171.6	174.9	0	109.9	V7 N54 W56 S71 P73 N76 V77	K5-V7 HydrophobicContact CG-CG2 4.4Å; K5-N54 WeakPolarHBondContact CA-O 3.32Å; K5-W56 HydrophobicContact CD-CD2 4.47Å; K5-W56 HydrophobicContact CD-CZ2 4.33Å; K5-W56 VanDerWaalsContact CE-CE2 3.41Å; K5-W56 HydrophobicContact CG-CG 4.48Å; K5-S71 WeakPolarHBondContact CE-O 3.42Å; K5-S71 PolarHBondContact NZ-O 2.96Å; K5-P73 PolarHBondContact NZ-O 3.05Å; K5-N76 PolarHBondContact N-OD1 3.26Å; K5-N76 WeakPolarHBondContact O-CB 3.25Å; K5-N76 PolarHBondContact O-N 3.22Å; K5-V77 PolarHBondContact O-N 3.48Å
6	C	98.3	Very high	95.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.1	176	174.9	0	0	0	0	109.6	L53 N54 L55 W56 V77	C6-L53 HydrophobicContact CB-CD1 3.79Å; C6-N54 PolarHBondContact N-O 3.33Å; C6-L55 HydrophobicContact CB-CD2 4.06Å; C6-L55 WeakPolarHBondContact O-CA 3.29Å; C6-W56 PolarHBondContact O-N 2.84Å; C6-V77 WeakPolarHBondContact CA-O 3.42Å; C6-V77 HydrophobicContact CB-CG1 3.75Å
7	V	98.6	Very high	95.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.5	176.4	-179.4	0	0	0	0	109.7	K5 V9 W56 T58 Y72 T75 V77 F78 V79	K5-V7 HydrophobicContact CG-CG2 4.4Å; V7-V9 HydrophobicContact CG1-CG1 4.03Å; V7-W56 HydrophobicContact CB-CB 4.32Å; V7-W56 HydrophobicContact CG1-CB 4.35Å; V7-W56 HydrophobicContact CG2-CB 3.87Å; V7-W56 HydrophobicContact CG2-CG 4.1Å; V7-T58 HydrophobicContact CG1-CG2 3.89Å; V7-Y72 HydrophobicContact CG1-CD1 4.15Å; V7-Y72 HydrophobicContact CG1-CE1 4.06Å; V7-T75 HydrophobicContact CB-CG2 4.01Å; V7-T75 HydrophobicContact CG2-CG2 3.65Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.29Å; V7-V77 PolarHBondContact N-O 3.1Å; V7-V77 VanDerWaalsContact N-O 3.1Å; V7-F78 HydrophobicContact CB-CD1 3.84Å; V7-F78 HydrophobicContact CB-CE1 3.7Å; V7-F78 HydrophobicContact CG1-CD1 4.12Å; V7-F78 HydrophobicContact CG1-CE1 3.81Å; V7-F78 HydrophobicContact CG2-CE1 4.37Å; V7-F78 WeakPolarHBondContact O-CA 3.49Å; V7-V79 PolarHBondContact O-N 3.22Å
8	V	98.6	Very high	95.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.2	179.9	-168.2	0	0	0	0	109.6	K16 L20 W56 T58 V79	V8-K16 HydrophobicContact CG1-CB 3.91Å; V8-K16 HydrophobicContact CG1-CD 4.09Å; V8-K16 HydrophobicContact CG1-CG 3.99Å; V8-L20 HydrophobicContact CB-CD1 4.23Å; V8-L20 HydrophobicContact CG2-CD1 4.03Å; V8-L20 HydrophobicContact CG2-CD2 3.89Å; V8-L20 HydrophobicContact CG2-CG 4.22Å; V8-W56 PolarHBondContact N-O 3.4Å; V8-T58 PolarHBondContact O-OG1 3.28Å; V8-V79 WeakPolarHBondContact CA-O 3.33Å; V8-V79 HydrophobicContact CG1-CB 4.33Å; V8-V79 HydrophobicContact CG1-CG1 4.26Å; V8-V79 HydrophobicContact CG2-CB 4.29Å
9	V	98.7	Very high	95.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	167.8	-179.5	-56.3	0	0	0	0	110.8	V7 K16 Y72 F78 V79 I80 C81 W97 V101	V7-V9 HydrophobicContact CG1-CG1 4.03Å; V9-K16 WeakPolarHBondContact O-CD 3.49Å; V9-Y72 HydrophobicContact CG1-CE1 4.01Å; V9-F78 HydrophobicContact CG1-CD1 4.44Å; V9-V79 PolarHBondContact N-O 2.95Å; V9-I80 HydrophobicContact CG2-CB 4.31Å; V9-I80 HydrophobicContact CG2-CG1 3.74Å; V9-I80 HydrophobicContact CG2-CG2 4.44Å; V9-C81 PolarHBondContact O-N 3.01Å; V9-W97 HydrophobicContact CB-CE3 3.77Å; V9-W97 HydrophobicContact CB-CZ3 3.97Å; V9-W97 HydrophobicContact CG2-CE3 4.04Å; V9-V101 HydrophobicContact CG2-CG2 3.97Å
10	G	98.6	Very high	95.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.8	167.9	-174.3	0	0	0	0	0	111.6	K16 G60 C81 W97	G10-K16 PolarHBondContact O-NZ 3.32Å; G10-G60 WeakPolarHBondContact O-CA 3.38Å; G10-C81 WeakPolarHBondContact CA-O 3.22Å; G10-W97 VanDerWaalsContact O-CH2 3.25Å; G10-W97 WeakPolarHBondContact O-CH2 3.3Å; G10-W97 WeakPolarHBondContact O-CZ2 3.44Å
11	D	98.4	Very high	95.5	Very high	24 Å²	24	25.9 Å²	25.9	13%	0.128	15%	0.154	C	C	.	.	S	Bend	trans	-53.2	160.3	-175.8	-80.9	14.7	0	0	0	113.5	V14 K16 S89 N92 W97	D11-V14 HydrophobicContact CB-CG1 3.56Å; D11-V14 VanDerWaalsContact O-CG2 3.29Å; D11-V14 WeakPolarHBondContact O-CG2 3.43Å; D11-K16 PolarHBondContact O-NZ 2.96Å; D11-S89 VanDerWaalsContact OD2-CA 3.29Å; D11-S89 WeakPolarHBondContact OD2-CA 3.29Å; D11-S89 WeakPolarHBondContact OD2-CB 3.46Å; D11-N92 WeakPolarHBondContact OD1-CB 3.46Å; D11-N92 PolarHBondContact OD1-ND2 2.57Å; D11-N92 PolarHBondContact OD2-ND2 3.41Å; D11-W97 PolarHBondContact OD1-NE1 2.88Å
12	G	95.6	Very high	97	Very high	30 Å²	30	18.8 Å²	18.8	31%	0.309	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	144.2	166.7	0	0	0	0	0	111.4	V14 G60	G12-V14 PolarHBondContact O-N 3.41Å; G12-G60 PolarHBondContact N-O 3.19Å
13	A	95.5	Very high	97.3	Very high	59 Å²	59	16.5 Å²	16.5	49%	0.488	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	10.4	175.2	0	0	0	0	0	117.2	G15 K116	A13-G15 PolarHBondContact O-N 3.44Å; A13-K116 WeakPolarHBondContact O-CE 3.44Å; A13-K116 PolarHBondContact O-NZ 2.96Å
14	V	98	Very high	97.2	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.024	10%	0.101	C	C	.	.	S	Bend	trans	-71.1	-14.7	174.7	-59.2	0	0	0	0	113.3	D11 G12 K16 C81 T115 K116	D11-V14 HydrophobicContact CB-CG1 3.56Å; D11-V14 VanDerWaalsContact O-CG2 3.29Å; D11-V14 WeakPolarHBondContact O-CG2 3.43Å; G12-V14 PolarHBondContact O-N 3.41Å; V14-K16 HydrophobicContact CG2-CD 4.36Å; V14-K16 HydrophobicContact CG2-CG 3.73Å; V14-C81 HydrophobicContact CG2-CB 3.9Å; V14-T115 WeakPolarHBondContact O-CB 3.32Å; V14-T115 PolarHBondContact O-OG1 2.79Å; V14-K116 VanDerWaalsContact O-CE 3.23Å; V14-K116 WeakPolarHBondContact O-CE 3.34Å
15	G	97.4	Very high	96.9	Very high	11 Å²	11	19.7 Å²	19.7	11%	0.113	13%	0.127	C	C	.	.	S	Bend	trans	104.2	22.8	175.4	0	0	0	0	0	115.4	A13 C18 L19	A13-G15 PolarHBondContact O-N 3.44Å; G15-C18 PolarHBondContact O-N 2.72Å; G15-L19 WeakPolarHBondContact O-CB 3.45Å; G15-L19 PolarHBondContact O-N 2.7Å
16	K	98	Very high	96.7	Very high	10 Å²	10	21.1 Å²	21.1	4%	0.043	15%	0.148	C	C	.	.	H	α-helix	trans	-54.8	-52.9	174.1	-54.5	-172	-58.7	-78.7	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 4.09Å; V8-K16 HydrophobicContact CG1-CG 3.99Å; V9-K16 WeakPolarHBondContact O-CD 3.49Å; G10-K16 PolarHBondContact O-NZ 3.32Å; D11-K16 PolarHBondContact O-NZ 2.96Å; V14-K16 HydrophobicContact CG2-CD 4.36Å; V14-K16 HydrophobicContact CG2-CG 3.73Å; K16-C18 PolarHBondContact O-N 2.88Å; K16-L19 WeakPolarHBondContact O-CB 3.43Å; K16-L19 PolarHBondContact O-N 3.17Å; K16-L20 WeakPolarHBondContact O-CD1 3.42Å; K16-L20 WeakPolarHBondContact O-CG 3.49Å; K16-L20 PolarHBondContact O-N 3.41Å; K16-T58 WeakPolarHBondContact CE-O 3.23Å; K16-T58 PolarHBondContact NZ-O 2.96Å; K16-C81 HydrophobicContact CG-CB 4.01Å
17	T	96.8	Very high	96.4	Very high	27 Å²	27	23.6 Å²	23.6	17%	0.166	17%	0.168	C	C	.	.	H	α-helix	trans	-61.9	-44.5	178.2	-43.1	0	0	0	0	112	L19 L20 I21 T35 D57	T17-L19 VanDerWaalsContact C-N 3.32Å; T17-L19 PolarHBondContact O-N 2.86Å; T17-L20 PolarHBondContact O-N 3.41Å; T17-I21 HydrophobicContact CG2-CD1 3.74Å; T17-I21 HydrophobicContact CG2-CG1 4.36Å; T17-I21 WeakPolarHBondContact O-CB 3.43Å; T17-I21 WeakPolarHBondContact O-CG1 3.46Å; T17-I21 PolarHBondContact O-N 3.43Å; T17-T35 WeakPolarHBondContact CG2-OG1 3.41Å; T17-T35 PolarHBondContact OG1-OG1 2.82Å; T17-D57 WeakPolarHBondContact CA-OD2 3.39Å; T17-D57 VanDerWaalsContact CB-OD2 3.25Å; T17-D57 WeakPolarHBondContact CB-OD2 3.49Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.43Å; T17-D57 PolarHBondContact OG1-OD2 3.05Å
18	C	96.9	Very high	96.1	Very high	22 Å²	22	27.7 Å²	27.7	15%	0.149	19%	0.186	C	C	.	.	H	α-helix	trans	-59.8	-42.9	175.2	-61.7	0	0	0	0	111.7	G15 K16 S22 F28 P29 A159	G15-C18 PolarHBondContact O-N 2.72Å; K16-C18 PolarHBondContact O-N 2.88Å; C18-S22 WeakPolarHBondContact O-CB 3.38Å; C18-S22 PolarHBondContact O-N 3.03Å; C18-S22 PolarHBondContact O-OG 3.47Å; C18-F28 HydrophobicContact CB-CD2 4.38Å; C18-F28 HydrophobicContact CB-CE2 3.72Å; C18-F28 HydrophobicContact CB-CZ 4.32Å; C18-P29 HydrophobicContact CB-CG 4.34Å; C18-A159 HydrophobicContact CB-CB 3.82Å
19	L	97.9	Very high	95.7	Very high	1 Å²	1	29 Å²	29	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-47.2	176.8	171	63	0	0	0	111.2	G15 K16 T17 Y23 I165 V168 F169	G15-L19 WeakPolarHBondContact O-CB 3.45Å; G15-L19 PolarHBondContact O-N 2.7Å; K16-L19 WeakPolarHBondContact O-CB 3.43Å; K16-L19 PolarHBondContact O-N 3.17Å; T17-L19 VanDerWaalsContact C-N 3.32Å; T17-L19 PolarHBondContact O-N 2.86Å; L19-Y23 WeakPolarHBondContact O-CB 3.16Å; L19-Y23 PolarHBondContact O-N 2.94Å; L19-I165 HydrophobicContact CD1-CB 4.18Å; L19-I165 HydrophobicContact CD1-CG1 3.97Å; L19-I165 HydrophobicContact CD1-CG2 3.73Å; L19-V168 HydrophobicContact CD2-CG1 4.41Å; L19-F169 HydrophobicContact CD1-CE2 3.92Å; L19-F169 HydrophobicContact CD1-CZ 4.4Å; L19-F169 HydrophobicContact CD2-CE2 4.48Å; L19-F169 HydrophobicContact CD2-CZ 4.17Å; L19-F169 HydrophobicContact CG-CE2 3.9Å; L19-F169 HydrophobicContact CG-CZ 3.89Å
20	L	96.6	Very high	94.9	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.9	-47.7	-178.8	-72.4	162.8	0	0	0	113	V8 K16 T17 Y23 T24 Y40 L55 D57 F169	V8-L20 HydrophobicContact CB-CD1 4.23Å; V8-L20 HydrophobicContact CG2-CD1 4.03Å; V8-L20 HydrophobicContact CG2-CD2 3.89Å; V8-L20 HydrophobicContact CG2-CG 4.22Å; K16-L20 WeakPolarHBondContact O-CD1 3.42Å; K16-L20 WeakPolarHBondContact O-CG 3.49Å; K16-L20 PolarHBondContact O-N 3.41Å; T17-L20 PolarHBondContact O-N 3.41Å; L20-Y23 PolarHBondContact O-N 3.47Å; L20-T24 WeakPolarHBondContact O-CG2 3.35Å; L20-T24 PolarHBondContact O-N 3.31Å; L20-T24 PolarHBondContact O-OG1 2.95Å; L20-Y40 HydrophobicContact CB-CD2 4.31Å; L20-Y40 HydrophobicContact CB-CE2 4.32Å; L20-L55 HydrophobicContact CD2-CB 3.54Å; L20-L55 HydrophobicContact CD2-CD1 3.77Å; L20-L55 HydrophobicContact CD2-CD2 3.97Å; L20-L55 HydrophobicContact CD2-CG 3.96Å; L20-D57 HydrophobicContact CD1-CB 3.44Å; L20-D57 VanDerWaalsContact CD1-CB 3.44Å; L20-D57 VanDerWaalsContact CD1-CG 3.41Å; L20-D57 WeakPolarHBondContact CD1-OD1 3.46Å; L20-F169 HydrophobicContact CD2-CE1 4.16Å; L20-F169 HydrophobicContact CD2-CZ 3.87Å; L20-F169 HydrophobicContact CG-CZ 4.5Å
21	I	94.7	Very high	94.1	Very high	36 Å²	36	46.4 Å²	46.4	19%	0.185	27%	0.273	C	S	.	.	H	α-helix	trans	-65	-43.9	177.3	-67.2	175	0	0	0	110.3	T17 Y23 T24 T25 P29 Y40	T17-I21 HydrophobicContact CG2-CD1 3.74Å; T17-I21 HydrophobicContact CG2-CG1 4.36Å; T17-I21 WeakPolarHBondContact O-CB 3.43Å; T17-I21 WeakPolarHBondContact O-CG1 3.46Å; T17-I21 PolarHBondContact O-N 3.43Å; I21-Y23 VanDerWaalsContact C-N 3.33Å; I21-Y23 PolarHBondContact O-N 3.45Å; I21-T24 PolarHBondContact O-N 3.23Å; I21-T24 PolarHBondContact O-OG1 2.9Å; I21-T25 HydrophobicContact CG2-CG2 4.11Å; I21-T25 WeakPolarHBondContact O-CB 3.31Å; I21-T25 WeakPolarHBondContact O-CG2 3.24Å; I21-T25 PolarHBondContact O-N 3.14Å; I21-T25 PolarHBondContact O-OG1 3.1Å; I21-P29 HydrophobicContact CB-CG 4.43Å; I21-P29 HydrophobicContact CD1-CB 4.21Å; I21-P29 HydrophobicContact CD1-CG 4.33Å; I21-P29 HydrophobicContact CG2-CB 4.2Å; I21-P29 HydrophobicContact CG2-CG 4.33Å; I21-Y40 HydrophobicContact CG1-CE1 4.34Å
22	S	96.1	Very high	92.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.2	-41	179.6	-61.2	0	0	0	0	111.6	C18 G26 A27 A159	C18-S22 WeakPolarHBondContact O-CB 3.38Å; C18-S22 PolarHBondContact O-N 3.03Å; C18-S22 PolarHBondContact O-OG 3.47Å; S22-G26 VanDerWaalsContact O-CA 3.22Å; S22-G26 WeakPolarHBondContact O-CA 3.22Å; S22-G26 PolarHBondContact O-N 2.85Å; S22-A27 WeakPolarHBondContact CA-O 3.44Å; S22-A159 PolarHBondContact OG-O 3.12Å
23	Y	96.4	Very high	92.1	Very high	32 Å²	32	56.2 Å²	56.2	13%	0.125	31%	0.308	C	S	.	.	H	α-helix	trans	-62.3	-43.2	174.8	176.5	-113.1	0	0	0	113	L19 L20 I21 V44 L53 L55 I165 F169	L19-Y23 WeakPolarHBondContact O-CB 3.16Å; L19-Y23 PolarHBondContact O-N 2.94Å; L20-Y23 PolarHBondContact O-N 3.47Å; I21-Y23 VanDerWaalsContact C-N 3.33Å; I21-Y23 PolarHBondContact O-N 3.45Å; Y23-V44 WeakPolarHBondContact OH-CB 3.43Å; Y23-L53 HydrophobicContact CE1-CD2 4.07Å; Y23-L55 HydrophobicContact CD1-CD1 3.69Å; Y23-L55 HydrophobicContact CE1-CD1 3.98Å; Y23-I165 HydrophobicContact CD2-CG2 3.98Å; Y23-I165 HydrophobicContact CG-CG2 4.2Å; Y23-F169 AromaticContact CD1-CD2 3.66Å; Y23-F169 HydrophobicContact CD1-CD2 3.66Å; Y23-F169 AromaticContact CD1-CE2 3.95Å; Y23-F169 HydrophobicContact CD1-CE2 3.95Å; Y23-F169 HydrophobicContact CD1-CG 4.09Å; Y23-F169 HydrophobicContact CD2-CB 4.33Å; Y23-F169 AromaticContact CD2-CD2 3.42Å; Y23-F169 HydrophobicContact CD2-CD2 3.42Å; Y23-F169 VanDerWaalsContact CD2-CD2 3.42Å; Y23-F169 HydrophobicContact CD2-CE2 4.12Å; Y23-F169 HydrophobicContact CD2-CG 4.2Å; Y23-F169 HydrophobicContact CE1-CB 4.15Å; Y23-F169 HydrophobicContact CE1-CD2 4.05Å; Y23-F169 HydrophobicContact CE1-CG 4.06Å; Y23-F169 HydrophobicContact CE2-CB 3.83Å; Y23-F169 AromaticContact CE2-CD2 3.82Å; Y23-F169 HydrophobicContact CE2-CD2 3.82Å; Y23-F169 HydrophobicContact CE2-CG 4.16Å; Y23-F169 AromaticContact CG-CD2 3.31Å; Y23-F169 HydrophobicContact CG-CD2 3.31Å; Y23-F169 AromaticContact CG-CE2 3.6Å; Y23-F169 HydrophobicContact CG-CE2 3.6Å; Y23-F169 HydrophobicContact CG-CG 4.15Å
24	T	94.3	Very high	91.4	Very high	45 Å²	45	57 Å²	57	28%	0.276	31%	0.308	S	S	.	.	H	α-helix	trans	-83.1	-30.1	-172.4	51.5	0	0	0	0	113.2	L20 I21 L55	L20-T24 WeakPolarHBondContact O-CG2 3.35Å; L20-T24 PolarHBondContact O-N 3.31Å; L20-T24 PolarHBondContact O-OG1 2.95Å; I21-T24 PolarHBondContact O-N 3.23Å; I21-T24 PolarHBondContact O-OG1 2.9Å; T24-L55 HydrophobicContact CG2-CD1 3.75Å
25	T	92.6	Very high	90.7	Very high	90 Å²	90	57.4 Å²	57.4	55%	0.552	31%	0.31	S	S	*	.	H	α-helix	trans	-106.8	-15.8	-175.8	68.2	0	0	0	0	113.5	I21 A27	I21-T25 HydrophobicContact CG2-CG2 4.11Å; I21-T25 WeakPolarHBondContact O-CB 3.31Å; I21-T25 WeakPolarHBondContact O-CG2 3.24Å; I21-T25 PolarHBondContact O-N 3.14Å; I21-T25 PolarHBondContact O-OG1 3.1Å; T25-A27 PolarHBondContact O-N 2.95Å; T25-A27 PolarHBondContact OG1-N 3.44Å; T25-A27 PolarHBondContact OG1-O 3.31Å; T25-A27 VanDerWaalsContact OG1-O 3.13Å
26	G	92.4	Very high	89.7	Confident	53 Å²	53	60.1 Å²	60.1	55%	0.546	32%	0.324	S	S	.	.	S	Bend	trans	71.2	10.4	-171.5	0	0	0	0	0	113.9	S22 Q162	S22-G26 VanDerWaalsContact O-CA 3.22Å; S22-G26 WeakPolarHBondContact O-CA 3.22Å; S22-G26 PolarHBondContact O-N 2.85Å; G26-Q162 PolarHBondContact O-NE2 2.65Å
27	A	92.7	Very high	88.3	Confident	51 Å²	51	63 Å²	63	42%	0.421	34%	0.337	S	S	.	.	S	Bend	trans	-136.3	144.9	-178	0	0	0	0	0	112.1	S22 T25	S22-A27 WeakPolarHBondContact CA-O 3.44Å; T25-A27 PolarHBondContact O-N 2.95Å; T25-A27 PolarHBondContact OG1-N 3.44Å; T25-A27 PolarHBondContact OG1-O 3.31Å; T25-A27 VanDerWaalsContact OG1-O 3.13Å
28	F	92.3	Very high	87.8	Confident	86 Å²	86	65.3 Å²	65.3	38%	0.377	35%	0.348	S	S	.	.			trans	-74.9	134	175.1	-171.4	-97	0	0	0	110.7	C18 K30 A159 L160	C18-F28 HydrophobicContact CB-CD2 4.38Å; C18-F28 HydrophobicContact CB-CE2 3.72Å; C18-F28 HydrophobicContact CB-CZ 4.32Å; F28-K30 PolarHBondContact O-N 3.36Å; F28-A159 VanDerWaalsContact CD2-C 3.49Å; F28-A159 HydrophobicContact CD2-CB 3.88Å; F28-A159 HydrophobicContact CE2-CB 3.82Å; F28-L160 HydrophobicContact CD1-CD1 4.1Å; F28-L160 HydrophobicContact CD2-CB 4.26Å; F28-L160 HydrophobicContact CD2-CD1 4.47Å; F28-L160 HydrophobicContact CE1-CD1 4.38Å; F28-L160 HydrophobicContact CE2-CB 4.28Å; F28-L160 HydrophobicContact CG-CD1 4.14Å
29	P	89.2	Confident	87.4	Confident	28 Å²	28	68.1 Å²	68.1	18%	0.182	36%	0.362	C	S	.	.			trans	-66.3	132.9	179.3	26.2	-33.4	0	0	0	111.4	C18 I21	C18-P29 HydrophobicContact CB-CG 4.34Å; I21-P29 HydrophobicContact CB-CG 4.43Å; I21-P29 HydrophobicContact CD1-CB 4.21Å; I21-P29 HydrophobicContact CD1-CG 4.33Å; I21-P29 HydrophobicContact CG2-CB 4.2Å; I21-P29 HydrophobicContact CG2-CG 4.33Å
30	K	82.4	Confident	87	Confident	210 Å²	210	70.6 Å²	70.6	91%	0.913	37%	0.372	S	S	*	.	S	Bend	trans	-81.9	-24.2	179.9	-66.3	-175.3	179.6	-179.7	0	113.7	F28	F28-K30 PolarHBondContact O-N 3.36Å
31	E	82.4	Confident	86.8	Confident	156 Å²	156	74.8 Å²	74.8	73%	0.729	40%	0.401	S	S	*	.	S	Bend	trans	-113.7	136.9	-179.5	-66.7	-179.9	-174.4	0	0	109.8
32	Y	73.1	Confident	86.7	Confident	137 Å²	137	74.5 Å²	74.5	54%	0.537	40%	0.402	S	S	.	.			trans	-95.6	109.7	174.5	179.8	-105.3	0	0	0	109.8	P34	Y32-P34 HydrophobicContact CD1-CG 4.44Å; Y32-P34 HydrophobicContact CE1-CG 3.85Å
33	I	79.2	Confident	86.6	Confident	122 Å²	122	81.1 Å²	81.1	63%	0.626	43%	0.433	S	S	*	.			trans	-111.1	119.4	170.8	-57.9	175.8	0	0	0	106.9	T35	I33-T35 PolarHBondContact O-N 2.92Å
34	P	79.8	Confident	86.5	Confident	76 Å²	76	80.4 Å²	80.4	49%	0.494	43%	0.432	S	S	.	.			trans	-59.6	125.1	176.6	-23.6	32.8	0	0	0	111.9	Y32	Y32-P34 HydrophobicContact CD1-CG 4.44Å; Y32-P34 HydrophobicContact CE1-CG 3.85Å
35	T	83.5	Confident	86.5	Confident	12 Å²	12	83 Å²	83	7%	0.074	45%	0.448	C	S	.	.			trans	-73.8	132.5	178.3	-56.3	0	0	0	0	111.6	T17 I33 D57 A59	T17-T35 WeakPolarHBondContact CG2-OG1 3.41Å; T17-T35 PolarHBondContact OG1-OG1 2.82Å; I33-T35 PolarHBondContact O-N 2.92Å; T35-D57 HydrophobicContact CG2-CB 4.05Å; T35-D57 WeakPolarHBondContact CG2-OD2 3.39Å; T35-D57 PolarHBondContact OG1-OD2 3.46Å; T35-A59 VanDerWaalsContact O-CB 3.28Å; T35-A59 WeakPolarHBondContact O-CB 3.17Å
36	V	75.6	Confident	86.5	Confident	68 Å²	68	78.9 Å²	78.9	41%	0.412	42%	0.423	S	S	.	.	S	Bend	trans	-92.3	-56	160.6	179.1	0	0	0	0	108.7	A59 Y64 L67	V36-A59 WeakPolarHBondContact O-CB 3.43Å; V36-A59 PolarHBondContact O-N 3.16Å; V36-Y64 HydrophobicContact CG1-CD1 4.1Å; V36-Y64 HydrophobicContact CG1-CE1 3.88Å; V36-Y64 HydrophobicContact CG2-CE1 4.09Å; V36-L67 HydrophobicContact CG1-CD2 3.5Å; V36-L67 VanDerWaalsContact CG1-CD2 3.5Å
37	F	70.3	Confident	86.5	Confident	71 Å²	71	80.5 Å²	80.5	31%	0.311	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	135.2	175.8	179.3	-103.9	0	0	0	110.2	N39 W56 D57 S71	F37-N39 VanDerWaalsContact CE1-ND2 3.27Å; F37-N39 WeakPolarHBondContact CE1-ND2 3.46Å; F37-N39 WeakPolarHBondContact CZ-ND2 3.45Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.37Å; F37-W56 HydrophobicContact CE1-CE3 4.43Å; F37-W56 HydrophobicContact CE1-CZ3 4.25Å; F37-W56 HydrophobicContact CE2-CB 4.42Å; F37-W56 HydrophobicContact CE2-CD2 4.18Å; F37-W56 AromaticContact CE2-CE3 3.34Å; F37-W56 HydrophobicContact CE2-CE3 3.34Å; F37-W56 AromaticContact CE2-CZ3 3.82Å; F37-W56 HydrophobicContact CE2-CZ3 3.82Å; F37-W56 AromaticContact CZ-CD2 3.92Å; F37-W56 HydrophobicContact CZ-CD2 3.92Å; F37-W56 AromaticContact CZ-CE3 3.16Å; F37-W56 HydrophobicContact CZ-CE3 3.16Å; F37-W56 HydrophobicContact CZ-CH2 4.16Å; F37-W56 AromaticContact CZ-CZ3 3.28Å; F37-W56 HydrophobicContact CZ-CZ3 3.28Å; F37-D57 WeakPolarHBondContact CD2-O 3.11Å; F37-S71 WeakPolarHBondContact CD2-OG 3.44Å; F37-S71 WeakPolarHBondContact CE2-OG 3.35Å
38	D	85.9	Confident	86.4	Confident	75 Å²	75	81.7 Å²	81.7	40%	0.401	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	151.3	173.9	-86.8	-52.6	0	0	0	111.6	Y40 D57	D38-Y40 HydrophobicContact CB-CE2 3.77Å; D38-D57 HydrophobicContact CB-CB 4.21Å; D38-D57 PolarHBondContact N-O 3.41Å; D38-D57 PolarHBondContact O-N 2.95Å
39	N	87.9	Confident	86.4	Confident	82 Å²	82	84.1 Å²	84.1	44%	0.439	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.3	176	-74.6	-43.8	0	0	0	110.6	F37 L55	F37-N39 VanDerWaalsContact CE1-ND2 3.27Å; F37-N39 WeakPolarHBondContact CE1-ND2 3.46Å; F37-N39 WeakPolarHBondContact CZ-ND2 3.45Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.37Å; N39-L55 WeakPolarHBondContact CA-O 3.36Å
40	Y	90.3	Very high	86.7	Confident	53 Å²	53	86.2 Å²	86.2	21%	0.208	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	152.3	173.5	-51.4	-90.5	0	0	0	110.4	L20 I21 D38 L55 D57	L20-Y40 HydrophobicContact CB-CD2 4.31Å; L20-Y40 HydrophobicContact CB-CE2 4.32Å; I21-Y40 HydrophobicContact CG1-CE1 4.34Å; D38-Y40 HydrophobicContact CB-CE2 3.77Å; Y40-L55 PolarHBondContact N-O 3.26Å; Y40-L55 PolarHBondContact O-N 3.35Å; Y40-D57 HydrophobicContact CE2-CB 4.17Å
41	S	91.3	Very high	87.4	Confident	88 Å²	88	76.2 Å²	76.2	62%	0.615	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.2	175.9	-63.1	0	0	0	0	110.2	L53 N54	S41-L53 WeakPolarHBondContact CA-O 3.39Å; S41-N54 PolarHBondContact OG-OD1 2.82Å
42	S	93.1	Very high	88.1	Confident	30 Å²	30	69.9 Å²	69.9	21%	0.21	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	151.4	176.1	-178.6	0	0	0	0	110.6	L53	S42-L53 PolarHBondContact N-O 3.44Å; S42-L53 PolarHBondContact O-N 3.24Å
43	Q	93.9	Very high	89.2	Confident	138 Å²	138	63.4 Å²	63.4	65%	0.645	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.4	169.3	-67.6	-172.4	23.2	0	0	109.1	M1 I51	M1-Q43 HydrophobicContact CE-CG 4.3Å; Q43-I51 WeakPolarHBondContact CA-O 3.39Å
44	V	93.6	Very high	90.1	Very high	18 Å²	18	59.8 Å²	59.8	11%	0.109	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.8	178.2	65.5	0	0	0	0	110	Y23 V46 I51 L53 V173	Y23-V44 WeakPolarHBondContact OH-CB 3.43Å; V44-V46 HydrophobicContact CG1-CG2 4.19Å; V44-V46 HydrophobicContact CG2-CG2 3.87Å; V44-I51 HydrophobicContact CG1-CB 4.1Å; V44-I51 PolarHBondContact N-O 3.34Å; V44-I51 PolarHBondContact O-N 3.03Å; V44-L53 HydrophobicContact CG1-CB 4.11Å; V44-L53 HydrophobicContact CG1-CD2 4.36Å; V44-V173 HydrophobicContact CG1-CG2 3.88Å
45	T	94.1	Very high	91	Very high	100 Å²	100	56.1 Å²	56.1	61%	0.613	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	114.3	173.1	-58.7	0	0	0	0	108.7	R49	T45-R49 CarbonylContact C-O 3.54Å; T45-R49 VanDerWaalsContact CA-O 3.32Å; T45-R49 WeakPolarHBondContact CA-O 3.46Å
46	V	93.6	Very high	91.6	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.012	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.5	178.4	-179.6	0	0	0	0	108.7	V44 G48 R49 A170 V173 R174	V44-V46 HydrophobicContact CG1-CG2 4.19Å; V44-V46 HydrophobicContact CG2-CG2 3.87Å; V46-G48 PolarHBondContact O-N 3.33Å; V46-G48 VanDerWaalsContact O-N 3.15Å; V46-R49 PolarHBondContact N-O 2.96Å; V46-R49 PolarHBondContact O-N 3.32Å; V46-A170 HydrophobicContact CG2-CB 4.31Å; V46-V173 HydrophobicContact CB-CG1 3.9Å; V46-V173 HydrophobicContact CG1-CG1 4.21Å; V46-V173 HydrophobicContact CG2-CB 3.99Å; V46-V173 HydrophobicContact CG2-CG1 3.77Å; V46-R174 HydrophobicContact CG1-CB 4.13Å
47	D	91.5	Very high	92.6	Very high	88 Å²	88	55 Å²	55	47%	0.471	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	41.5	178.3	-51.4	-18.3	0	0	0	112.5	R49 R174 N178	D47-R49 VanDerWaalsContact C-N 3.33Å; D47-R49 PolarHBondContact O-N 3Å; D47-R174 IonicContact OD1-CZ 3.38Å; D47-R174 IonicContact OD1-NE 2.8Å; D47-R174 PolarHBondContact OD1-NE 3.18Å; D47-R174 IonicContact OD1-NH2 3.12Å; D47-R174 PolarHBondContact OD1-NH2 3.15Å; D47-R174 IonicContact OD2-NE 2.86Å; D47-R174 PolarHBondContact OD2-NE 3.5Å; D47-R174 VanDerWaalsContact OD2-NE 3.14Å; D47-N178 PolarHBondContact OD2-ND2 2.89Å
48	G	91.3	Very high	93.8	Very high	75 Å²	75	51.7 Å²	51.7	77%	0.773	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	2.3	179.7	0	0	0	0	0	115.7	V46	V46-G48 PolarHBondContact O-N 3.33Å; V46-G48 VanDerWaalsContact O-N 3.15Å
49	R	92.8	Very high	94.2	Very high	138 Å²	138	48.2 Å²	48.2	52%	0.521	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.8	-180	-57.1	-179.3	-172.5	179.2	4.6	111.1	T45 V46 D47 I51	T45-R49 CarbonylContact C-O 3.54Å; T45-R49 VanDerWaalsContact CA-O 3.32Å; T45-R49 WeakPolarHBondContact CA-O 3.46Å; V46-R49 PolarHBondContact N-O 2.96Å; V46-R49 PolarHBondContact O-N 3.32Å; D47-R49 VanDerWaalsContact C-N 3.33Å; D47-R49 PolarHBondContact O-N 3Å; R49-I51 HydrophobicContact CB-CD1 4.1Å
50	V	95.2	Very high	94.4	Very high	71 Å²	71	44.6 Å²	44.6	43%	0.43	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	120	171.9	-176.8	0	0	0	0	109.4
51	I	96.7	Very high	94.5	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.8	-175.2	-55.2	-60.7	0	0	0	109.7	Q2 V4 Q43 V44 R49 L53 V173 L177	Q2-I51 HydrophobicContact CB-CD1 3.9Å; Q2-I51 HydrophobicContact CG-CD1 4.32Å; V4-I51 HydrophobicContact CB-CG2 4Å; V4-I51 HydrophobicContact CG2-CG2 3.54Å; Q43-I51 WeakPolarHBondContact CA-O 3.39Å; V44-I51 HydrophobicContact CG1-CB 4.1Å; V44-I51 PolarHBondContact N-O 3.34Å; V44-I51 PolarHBondContact O-N 3.03Å; R49-I51 HydrophobicContact CB-CD1 4.1Å; I51-L53 PolarHBondContact O-N 3.17Å; I51-V173 HydrophobicContact CB-CG1 4.3Å; I51-V173 HydrophobicContact CG1-CG1 3.89Å; I51-V173 HydrophobicContact CG2-CG1 4.15Å; I51-V173 HydrophobicContact CG2-CG2 4.37Å; I51-L177 HydrophobicContact CD1-CD1 3.94Å; I51-L177 HydrophobicContact CG1-CD1 4.13Å
52	S	96.9	Very high	94.5	Very high	23 Å²	23	46.8 Å²	46.8	16%	0.161	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	106.8	166.1	-160.2	0	0	0	0	108.8	M1 Q2 T3 V4	M1-S52 VanDerWaalsContact CE-CB 3.45Å; Q2-S52 PolarHBondContact O-N 2.96Å; T3-S52 CarbonylContact C-O 3.52Å; T3-S52 VanDerWaalsContact CA-O 3.3Å; T3-S52 WeakPolarHBondContact CA-O 3.4Å; V4-S52 PolarHBondContact N-O 3.43Å
53	L	97.3	Very high	94.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	112.2	177.8	-178.1	58.8	0	0	0	109.7	V4 C6 Y23 S41 S42 V44 I51 L55 F169 V173	V4-L53 HydrophobicContact CB-CD1 4.15Å; V4-L53 HydrophobicContact CG1-CD1 3.98Å; C6-L53 HydrophobicContact CB-CD1 3.79Å; Y23-L53 HydrophobicContact CE1-CD2 4.07Å; S41-L53 WeakPolarHBondContact CA-O 3.39Å; S42-L53 PolarHBondContact N-O 3.44Å; S42-L53 PolarHBondContact O-N 3.24Å; V44-L53 HydrophobicContact CG1-CB 4.11Å; V44-L53 HydrophobicContact CG1-CD2 4.36Å; I51-L53 PolarHBondContact O-N 3.17Å; L53-L55 HydrophobicContact CD1-CD2 4.18Å; L53-L55 HydrophobicContact CD2-CD2 3.77Å; L53-L55 HydrophobicContact CD2-CG 4.44Å; L53-L55 HydrophobicContact CG-CD2 3.7Å; L53-L55 HydrophobicContact CG-CG 4.1Å; L53-F169 HydrophobicContact CD2-CB 3.81Å; L53-F169 HydrophobicContact CD2-CD1 4.06Å; L53-F169 HydrophobicContact CD2-CG 4.22Å; L53-V173 HydrophobicContact CD1-CG2 3.9Å; L53-V173 HydrophobicContact CD2-CG2 4.21Å; L53-V173 HydrophobicContact CG-CG2 4.49Å
54	N	97.8	Very high	94.4	Very high	46 Å²	46	50.3 Å²	50.3	25%	0.246	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	117.8	174.3	-65.6	-8.8	0	0	0	108.5	T3 V4 K5 C6 S41	T3-N54 VanDerWaalsContact CG2-ND2 3.32Å; T3-N54 WeakPolarHBondContact CG2-ND2 3.33Å; V4-N54 PolarHBondContact O-N 2.96Å; K5-N54 WeakPolarHBondContact CA-O 3.32Å; C6-N54 PolarHBondContact N-O 3.33Å; S41-N54 PolarHBondContact OG-OD1 2.82Å
55	L	97.6	Very high	94.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.2	-174.2	-58.8	166.8	0	0	0	109.8	C6 L20 Y23 T24 N39 Y40 L53 F169	C6-L55 HydrophobicContact CB-CD2 4.06Å; C6-L55 WeakPolarHBondContact O-CA 3.29Å; L20-L55 HydrophobicContact CD2-CB 3.54Å; L20-L55 HydrophobicContact CD2-CD1 3.77Å; L20-L55 HydrophobicContact CD2-CD2 3.97Å; L20-L55 HydrophobicContact CD2-CG 3.96Å; Y23-L55 HydrophobicContact CD1-CD1 3.69Å; Y23-L55 HydrophobicContact CE1-CD1 3.98Å; T24-L55 HydrophobicContact CG2-CD1 3.75Å; N39-L55 WeakPolarHBondContact CA-O 3.36Å; Y40-L55 PolarHBondContact N-O 3.26Å; Y40-L55 PolarHBondContact O-N 3.35Å; L53-L55 HydrophobicContact CD1-CD2 4.18Å; L53-L55 HydrophobicContact CD2-CD2 3.77Å; L53-L55 HydrophobicContact CD2-CG 4.44Å; L53-L55 HydrophobicContact CG-CD2 3.7Å; L53-L55 HydrophobicContact CG-CG 4.1Å; L55-F169 HydrophobicContact CD2-CD1 3.57Å; L55-F169 HydrophobicContact CD2-CE1 3.41Å; L55-F169 VanDerWaalsContact CD2-CE1 3.41Å; L55-F169 HydrophobicContact CD2-CZ 4.25Å
56	W	97.6	Very high	94.3	Very high	56 Å²	56	57.6 Å²	57.6	21%	0.212	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	109.5	179.6	-67.6	56.8	0	0	0	108.3	K5 C6 V7 V8 F37	K5-W56 HydrophobicContact CD-CD2 4.47Å; K5-W56 HydrophobicContact CD-CZ2 4.33Å; K5-W56 VanDerWaalsContact CE-CE2 3.41Å; K5-W56 HydrophobicContact CG-CG 4.48Å; C6-W56 PolarHBondContact O-N 2.84Å; V7-W56 HydrophobicContact CB-CB 4.32Å; V7-W56 HydrophobicContact CG1-CB 4.35Å; V7-W56 HydrophobicContact CG2-CB 3.87Å; V7-W56 HydrophobicContact CG2-CG 4.1Å; V8-W56 PolarHBondContact N-O 3.4Å; F37-W56 HydrophobicContact CE1-CE3 4.43Å; F37-W56 HydrophobicContact CE1-CZ3 4.25Å; F37-W56 HydrophobicContact CE2-CB 4.42Å; F37-W56 HydrophobicContact CE2-CD2 4.18Å; F37-W56 AromaticContact CE2-CE3 3.34Å; F37-W56 HydrophobicContact CE2-CE3 3.34Å; F37-W56 AromaticContact CE2-CZ3 3.82Å; F37-W56 HydrophobicContact CE2-CZ3 3.82Å; F37-W56 AromaticContact CZ-CD2 3.92Å; F37-W56 HydrophobicContact CZ-CD2 3.92Å; F37-W56 AromaticContact CZ-CE3 3.16Å; F37-W56 HydrophobicContact CZ-CE3 3.16Å; F37-W56 HydrophobicContact CZ-CH2 4.16Å; F37-W56 AromaticContact CZ-CZ3 3.28Å; F37-W56 HydrophobicContact CZ-CZ3 3.28Å
57	D	96.4	Very high	94.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	134.6	171.5	-161.1	11.4	0	0	0	109.6	T17 L20 T35 F37 D38 Y40	T17-D57 WeakPolarHBondContact CA-OD2 3.39Å; T17-D57 VanDerWaalsContact CB-OD2 3.25Å; T17-D57 WeakPolarHBondContact CB-OD2 3.49Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.43Å; T17-D57 PolarHBondContact OG1-OD2 3.05Å; L20-D57 HydrophobicContact CD1-CB 3.44Å; L20-D57 VanDerWaalsContact CD1-CB 3.44Å; L20-D57 VanDerWaalsContact CD1-CG 3.41Å; L20-D57 WeakPolarHBondContact CD1-OD1 3.46Å; T35-D57 HydrophobicContact CG2-CB 4.05Å; T35-D57 WeakPolarHBondContact CG2-OD2 3.39Å; T35-D57 PolarHBondContact OG1-OD2 3.46Å; F37-D57 WeakPolarHBondContact CD2-O 3.11Å; D38-D57 HydrophobicContact CB-CB 4.21Å; D38-D57 PolarHBondContact N-O 3.41Å; D38-D57 PolarHBondContact O-N 2.95Å; Y40-D57 HydrophobicContact CE2-CB 4.17Å
58	T	96.1	Very high	94.5	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	146.2	-176.9	70.6	0	0	0	0	112.1	V7 V8 K16 R68	V7-T58 HydrophobicContact CG1-CG2 3.89Å; V8-T58 PolarHBondContact O-OG1 3.28Å; K16-T58 WeakPolarHBondContact CE-O 3.23Å; K16-T58 PolarHBondContact NZ-O 2.96Å; T58-R68 HydrophobicContact CG2-CG 4.17Å
59	A	93.7	Very high	94.7	Very high	2 Å²	2	55.5 Å²	55.5	2%	0.017	26%	0.255	C	S	.	.			trans	-60.6	138.7	171.4	0	0	0	0	0	111.9	T35 V36 Y64 R68	T35-A59 VanDerWaalsContact O-CB 3.28Å; T35-A59 WeakPolarHBondContact O-CB 3.17Å; V36-A59 WeakPolarHBondContact O-CB 3.43Å; V36-A59 PolarHBondContact O-N 3.16Å; A59-Y64 HydrophobicContact CB-CD2 3.49Å; A59-Y64 VanDerWaalsContact CB-CD2 3.49Å; A59-Y64 HydrophobicContact CB-CE2 4.33Å; A59-Y64 HydrophobicContact CB-CG 3.6Å; A59-R68 PolarHBondContact O-NH1 3.33Å; A59-R68 VanDerWaalsContact O-NH1 3.1Å
60	G	92.4	Very high	94.8	Very high	6 Å²	6	54.9 Å²	54.9	6%	0.062	26%	0.261	C	S	.	.			trans	-95.8	-6.8	179.3	0	0	0	0	0	114.4	G10 G12	G10-G60 WeakPolarHBondContact O-CA 3.38Å; G12-G60 PolarHBondContact N-O 3.19Å
61	Q	91.7	Very high	94.8	Very high	53 Å²	53	51.7 Å²	51.7	25%	0.248	24%	0.242	C	C	.	.	S	Bend	trans	-87.6	148.7	-176.8	-51.8	77.9	-6.7	0	0	110.8	E63 Y64	Q61-E63 VanDerWaalsContact C-N 3.27Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.19Å; Q61-E63 PolarHBondContact O-N 3.34Å; Q61-Y64 HydrophobicContact CB-CD2 4.04Å; Q61-Y64 HydrophobicContact CB-CE2 4.43Å; Q61-Y64 PolarHBondContact O-N 3.24Å
62	E	90.4	Very high	94.9	Very high	134 Å²	134	51.9 Å²	51.9	63%	0.626	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-68.9	-28.1	-170.3	-51.5	-154.6	125.2	0	0	112.8	Y64 D65 K96	E62-Y64 PolarHBondContact O-N 3.36Å; E62-D65 WeakPolarHBondContact CA-OD1 3.36Å; E62-D65 WeakPolarHBondContact O-CB 3.36Å; E62-D65 PolarHBondContact O-N 3.28Å; E62-K96 IonicContact OE1-NZ 2.72Å; E62-K96 PolarHBondContact OE1-NZ 3.28Å
63	E	93.1	Very high	94.9	Very high	159 Å²	159	54.6 Å²	54.6	74%	0.743	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-60.7	-20.5	177.1	-57	81.5	-179.1	0	0	112	Q61	Q61-E63 VanDerWaalsContact C-N 3.27Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.19Å; Q61-E63 PolarHBondContact O-N 3.34Å
64	Y	92.8	Very high	94.9	Very high	83 Å²	83	63 Å²	63	33%	0.325	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-102.5	7	178.7	-59	-71.6	0	0	0	114	V36 A59 Q61 E62 R66 L67 R68	V36-Y64 HydrophobicContact CG1-CD1 4.1Å; V36-Y64 HydrophobicContact CG1-CE1 3.88Å; V36-Y64 HydrophobicContact CG2-CE1 4.09Å; A59-Y64 HydrophobicContact CB-CD2 3.49Å; A59-Y64 VanDerWaalsContact CB-CD2 3.49Å; A59-Y64 HydrophobicContact CB-CE2 4.33Å; A59-Y64 HydrophobicContact CB-CG 3.6Å; Q61-Y64 HydrophobicContact CB-CD2 4.04Å; Q61-Y64 HydrophobicContact CB-CE2 4.43Å; Q61-Y64 PolarHBondContact O-N 3.24Å; E62-Y64 PolarHBondContact O-N 3.36Å; Y64-R66 VanDerWaalsContact C-N 3.29Å; Y64-R66 PolarHBondContact O-N 2.87Å; Y64-L67 HydrophobicContact CD1-CD2 4.1Å; Y64-L67 PolarHBondContact O-N 3.19Å; Y64-R68 WeakPolarHBondContact O-CB 3.49Å; Y64-R68 PolarHBondContact O-N 2.87Å
65	D	92.8	Very high	94.9	Very high	44 Å²	44	61.4 Å²	61.4	24%	0.235	29%	0.291	C	S	.	.	H	α-helix	trans	-53.6	-44.3	-177.1	-76.4	-2.5	0	0	0	112	E62 L67 R68 T69 K96	E62-D65 WeakPolarHBondContact CA-OD1 3.36Å; E62-D65 WeakPolarHBondContact O-CB 3.36Å; E62-D65 PolarHBondContact O-N 3.28Å; D65-L67 PolarHBondContact O-N 3.03Å; D65-R68 IonicContact OD1-CZ 3.5Å; D65-R68 VanDerWaalsContact OD1-CZ 3.26Å; D65-R68 IonicContact OD1-NH1 3.93Å; D65-R68 PolarHBondContact OD1-NH1 3.32Å; D65-R68 VanDerWaalsContact OD1-NH1 3.14Å; D65-R68 IonicContact OD1-NH2 3.22Å; D65-R68 PolarHBondContact OD1-NH2 2.97Å; D65-T69 PolarHBondContact O-N 2.9Å; D65-K96 IonicContact OD1-NZ 3.38Å; D65-K96 PolarHBondContact OD1-NZ 3.49Å; D65-K96 IonicContact OD2-NZ 2.96Å; D65-K96 PolarHBondContact OD2-NZ 3.2Å
66	R	93.4	Very high	94.9	Very high	228 Å²	228	62.9 Å²	62.9	86%	0.86	30%	0.299	S	S	*	.	H	α-helix	trans	-66.2	-38.5	177.1	-67.5	-175.3	-179	179.7	1.1	113	Y64 T69	Y64-R66 VanDerWaalsContact C-N 3.29Å; Y64-R66 PolarHBondContact O-N 2.87Å; R66-T69 PolarHBondContact O-OG1 2.87Å
67	L	92.5	Very high	95	Very high	78 Å²	78	60.2 Å²	60.2	41%	0.408	29%	0.289	S	S	.	.	H	α-helix	trans	-72	-39.8	-179.1	-175.2	66.2	0	0	0	110.9	V36 Y64 D65 T69 L70	V36-L67 HydrophobicContact CG1-CD2 3.5Å; V36-L67 VanDerWaalsContact CG1-CD2 3.5Å; Y64-L67 HydrophobicContact CD1-CD2 4.1Å; Y64-L67 PolarHBondContact O-N 3.19Å; D65-L67 PolarHBondContact O-N 3.03Å; L67-T69 VanDerWaalsContact C-N 3.33Å; L67-T69 PolarHBondContact O-N 3.33Å; L67-L70 HydrophobicContact CD1-CD1 4.01Å; L67-L70 VanDerWaalsContact O-CB 3.32Å; L67-L70 WeakPolarHBondContact O-CB 3.37Å; L67-L70 WeakPolarHBondContact O-CG 3.48Å; L67-L70 PolarHBondContact O-N 3.19Å
68	R	96.3	Very high	95.1	Very high	6 Å²	6	60.2 Å²	60.2	2%	0.023	29%	0.289	C	S	.	.	H	α-helix	trans	-57.3	-43.7	179.7	177.4	170.3	63.4	-124	3.3	112.1	T58 A59 Y64 D65 L70 S71 Y72 W97 E100	T58-R68 HydrophobicContact CG2-CG 4.17Å; A59-R68 PolarHBondContact O-NH1 3.33Å; A59-R68 VanDerWaalsContact O-NH1 3.1Å; Y64-R68 WeakPolarHBondContact O-CB 3.49Å; Y64-R68 PolarHBondContact O-N 2.87Å; D65-R68 IonicContact OD1-CZ 3.5Å; D65-R68 VanDerWaalsContact OD1-CZ 3.26Å; D65-R68 IonicContact OD1-NH1 3.93Å; D65-R68 PolarHBondContact OD1-NH1 3.32Å; D65-R68 VanDerWaalsContact OD1-NH1 3.14Å; D65-R68 IonicContact OD1-NH2 3.22Å; D65-R68 PolarHBondContact OD1-NH2 2.97Å; R68-L70 PolarHBondContact O-N 3.32Å; R68-L70 VanDerWaalsContact O-N 3.15Å; R68-S71 WeakPolarHBondContact O-CB 3.36Å; R68-S71 PolarHBondContact O-N 3.06Å; R68-S71 PolarHBondContact O-OG 3.02Å; R68-Y72 WeakPolarHBondContact CD-OH 3.5Å; R68-Y72 HydrophobicContact CG-CE1 3.98Å; R68-Y72 WeakPolarHBondContact CG-OH 3.37Å; R68-Y72 PolarHBondContact NE-OH 2.74Å; R68-W97 VanDerWaalsContact CZ-CH2 3.49Å; R68-E100 IonicContact CZ-OE1 2.65Å; R68-E100 IonicContact CZ-OE2 3.14Å; R68-E100 IonicContact NE-OE1 3.92Å; R68-E100 PolarHBondContact NE-OE1 3Å; R68-E100 IonicContact NE-OE2 2.69Å; R68-E100 VanDerWaalsContact NH2-CD 3.31Å; R68-E100 IonicContact NH2-OE1 3.14Å; R68-E100 PolarHBondContact NH2-OE1 2.96Å; R68-E100 VanDerWaalsContact NH2-OE1 3.12Å; R68-E100 IonicContact NH2-OE2 2.88Å; R68-E100 PolarHBondContact NH2-OE2 3.18Å
69	T	95.1	Very high	95.2	Very high	37 Å²	37	60.1 Å²	60.1	23%	0.227	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-20.5	-177.9	59.5	0	0	0	0	113.7	D65 R66 L67 S71 Y72 H104	D65-T69 PolarHBondContact O-N 2.9Å; R66-T69 PolarHBondContact O-OG1 2.87Å; L67-T69 VanDerWaalsContact C-N 3.33Å; L67-T69 PolarHBondContact O-N 3.33Å; T69-S71 PolarHBondContact O-N 2.93Å; T69-S71 VanDerWaalsContact O-N 3.17Å; T69-Y72 HydrophobicContact CG2-CD2 4.15Å; T69-Y72 HydrophobicContact CG2-CE2 3.83Å; T69-Y72 WeakPolarHBondContact O-CB 3.43Å; T69-Y72 PolarHBondContact O-N 3.31Å; T69-Y72 VanDerWaalsContact O-N 3.11Å; T69-H104 WeakPolarHBondContact CG2-NE2 3.5Å
70	L	95.3	Very high	95.4	Very high	125 Å²	125	60 Å²	60	65%	0.654	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.4	171.8	-55.3	-174.8	0	0	0	112.7	L67 R68 P73	L67-L70 HydrophobicContact CD1-CD1 4.01Å; L67-L70 VanDerWaalsContact O-CB 3.32Å; L67-L70 WeakPolarHBondContact O-CB 3.37Å; L67-L70 WeakPolarHBondContact O-CG 3.48Å; L67-L70 PolarHBondContact O-N 3.19Å; R68-L70 PolarHBondContact O-N 3.32Å; R68-L70 VanDerWaalsContact O-N 3.15Å; L70-P73 WeakPolarHBondContact O-CD 3.39Å
71	S	96	Very high	95.7	Very high	4 Å²	4	59.8 Å²	59.8	3%	0.028	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-16.7	176.5	-59	0	0	0	0	113.6	K5 F37 R68 T69	K5-S71 WeakPolarHBondContact CE-O 3.42Å; K5-S71 PolarHBondContact NZ-O 2.96Å; F37-S71 WeakPolarHBondContact CD2-OG 3.44Å; F37-S71 WeakPolarHBondContact CE2-OG 3.35Å; R68-S71 WeakPolarHBondContact O-CB 3.36Å; R68-S71 PolarHBondContact O-N 3.06Å; R68-S71 PolarHBondContact O-OG 3.02Å; T69-S71 PolarHBondContact O-N 2.93Å; T69-S71 VanDerWaalsContact O-N 3.17Å
72	Y	97.8	Very high	96.1	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.016	27%	0.273	C	S	.	.			trans	-78.1	-31.1	-169	-63.1	-8.1	0	0	0	116.4	V7 V9 R68 T69 Q74 T75 F78 E100 H104	V7-Y72 HydrophobicContact CG1-CD1 4.15Å; V7-Y72 HydrophobicContact CG1-CE1 4.06Å; V9-Y72 HydrophobicContact CG1-CE1 4.01Å; R68-Y72 WeakPolarHBondContact CD-OH 3.5Å; R68-Y72 HydrophobicContact CG-CE1 3.98Å; R68-Y72 WeakPolarHBondContact CG-OH 3.37Å; R68-Y72 PolarHBondContact NE-OH 2.74Å; T69-Y72 HydrophobicContact CG2-CD2 4.15Å; T69-Y72 HydrophobicContact CG2-CE2 3.83Å; T69-Y72 WeakPolarHBondContact O-CB 3.43Å; T69-Y72 PolarHBondContact O-N 3.31Å; T69-Y72 VanDerWaalsContact O-N 3.11Å; Y72-Q74 PolarHBondContact O-N 3.26Å; Y72-T75 VanDerWaalsContact O-CB 3.32Å; Y72-T75 WeakPolarHBondContact O-CB 3.47Å; Y72-T75 PolarHBondContact O-N 2.84Å; Y72-T75 VanDerWaalsContact O-N 3.14Å; Y72-T75 PolarHBondContact O-OG1 3.32Å; Y72-F78 AromaticContact CD1-CE1 3.6Å; Y72-F78 HydrophobicContact CD1-CE1 3.6Å; Y72-F78 AromaticContact CD1-CZ 3.81Å; Y72-F78 HydrophobicContact CD1-CZ 3.81Å; Y72-F78 AromaticContact CE1-CE1 3.7Å; Y72-F78 HydrophobicContact CE1-CE1 3.7Å; Y72-F78 HydrophobicContact CE1-CZ 4.3Å; Y72-F78 HydrophobicContact CG-CE1 4.19Å; Y72-F78 AromaticContact CG-CZ 3.95Å; Y72-F78 HydrophobicContact CG-CZ 3.95Å; Y72-E100 HydrophobicContact CE2-CG 4.23Å; Y72-E100 PolarHBondContact OH-OE1 2.56Å; Y72-H104 HydrophobicContact CD2-CB 3.69Å; Y72-H104 AromaticContact CD2-CD2 3.97Å; Y72-H104 AromaticContact CD2-CG 3.87Å; Y72-H104 HydrophobicContact CE2-CB 4.35Å; Y72-H104 AromaticContact CE2-CD2 3.97Å
73	P	97.4	Very high	96.5	Very high	81 Å²	81	51 Å²	51	53%	0.526	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	135.4	178.7	-29.4	36.6	0	0	0	112.6	K5 L70 T75	K5-P73 PolarHBondContact NZ-O 3.05Å; L70-P73 WeakPolarHBondContact O-CD 3.39Å; P73-T75 PolarHBondContact O-N 2.99Å
74	Q	96.3	Very high	96.8	Very high	177 Å²	177	43.4 Å²	43.4	83%	0.827	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	22	178.7	-52.1	175.9	-50.1	0	0	114.9	Y72	Y72-Q74 PolarHBondContact O-N 3.26Å
75	T	98.3	Very high	97	Very high	11 Å²	11	40.4 Å²	40.4	7%	0.067	20%	0.2	C	C	.	.			trans	-66.8	133.3	173.8	-59.3	0	0	0	0	110.8	V7 Y72 P73 V77 F78 V108	V7-T75 HydrophobicContact CB-CG2 4.01Å; V7-T75 HydrophobicContact CG2-CG2 3.65Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.29Å; Y72-T75 VanDerWaalsContact O-CB 3.32Å; Y72-T75 WeakPolarHBondContact O-CB 3.47Å; Y72-T75 PolarHBondContact O-N 2.84Å; Y72-T75 VanDerWaalsContact O-N 3.14Å; Y72-T75 PolarHBondContact O-OG1 3.32Å; P73-T75 PolarHBondContact O-N 2.99Å; T75-V77 WeakPolarHBondContact CG2-O 3.28Å; T75-F78 HydrophobicContact CG2-CD1 4.39Å; T75-F78 HydrophobicContact CG2-CD2 3.79Å; T75-F78 HydrophobicContact CG2-CE1 4.18Å; T75-F78 HydrophobicContact CG2-CE2 3.52Å; T75-F78 HydrophobicContact CG2-CG 4.21Å; T75-F78 HydrophobicContact CG2-CZ 3.74Å; T75-V108 HydrophobicContact CG2-CG1 4.15Å
76	N	98.1	Very high	97.3	Very high	31 Å²	31	40.3 Å²	40.3	17%	0.166	20%	0.203	C	C	.	.	S	Bend	trans	-93.8	-29	178.3	-61.9	125.8	0	0	0	112.5	V4 K5 P109 Y176	V4-N76 WeakPolarHBondContact CA-OD1 3.26Å; V4-N76 HydrophobicContact CG1-CB 3.99Å; K5-N76 PolarHBondContact N-OD1 3.26Å; K5-N76 WeakPolarHBondContact O-CB 3.25Å; K5-N76 PolarHBondContact O-N 3.22Å; N76-P109 WeakPolarHBondContact O-CD 3.46Å; N76-P109 WeakPolarHBondContact O-CG 3.43Å; N76-Y176 HydrophobicContact CB-CD1 4.05Å; N76-Y176 HydrophobicContact CB-CD2 3.64Å; N76-Y176 HydrophobicContact CB-CE1 4.2Å; N76-Y176 HydrophobicContact CB-CE2 3.83Å; N76-Y176 HydrophobicContact CB-CG 3.76Å; N76-Y176 WeakPolarHBondContact ND2-CE2 3.49Å; N76-Y176 VanDerWaalsContact ND2-CZ 3.29Å; N76-Y176 PolarHBondContact ND2-OH 3.33Å; N76-Y176 WeakPolarHBondContact O-CD2 3.27Å
77	V	98.5	Very high	97.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	143	178.3	60	0	0	0	0	110.4	V4 K5 C6 V7 T75 P109 L111 A172 S175	V4-V77 HydrophobicContact CG1-CG1 4.16Å; K5-V77 PolarHBondContact O-N 3.48Å; C6-V77 WeakPolarHBondContact CA-O 3.42Å; C6-V77 HydrophobicContact CB-CG1 3.75Å; V7-V77 PolarHBondContact N-O 3.1Å; V7-V77 VanDerWaalsContact N-O 3.1Å; T75-V77 WeakPolarHBondContact CG2-O 3.28Å; V77-P109 HydrophobicContact CB-CG 4.29Å; V77-P109 HydrophobicContact CG2-CG 4.32Å; V77-L111 HydrophobicContact CG2-CD1 3.71Å; V77-A172 HydrophobicContact CG1-CB 4Å; V77-A172 HydrophobicContact CG2-CB 4.16Å; V77-S175 WeakPolarHBondContact CG2-OG 3.38Å
78	F	98.7	Very high	97.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	142.4	169.8	-77.6	-86.4	0	0	0	111.3	V7 V9 Y72 T75 V101 C105 V108 P109 I110 L111	V7-F78 HydrophobicContact CB-CD1 3.84Å; V7-F78 HydrophobicContact CB-CE1 3.7Å; V7-F78 HydrophobicContact CG1-CD1 4.12Å; V7-F78 HydrophobicContact CG1-CE1 3.81Å; V7-F78 HydrophobicContact CG2-CE1 4.37Å; V7-F78 WeakPolarHBondContact O-CA 3.49Å; V9-F78 HydrophobicContact CG1-CD1 4.44Å; Y72-F78 AromaticContact CD1-CE1 3.6Å; Y72-F78 HydrophobicContact CD1-CE1 3.6Å; Y72-F78 AromaticContact CD1-CZ 3.81Å; Y72-F78 HydrophobicContact CD1-CZ 3.81Å; Y72-F78 AromaticContact CE1-CE1 3.7Å; Y72-F78 HydrophobicContact CE1-CE1 3.7Å; Y72-F78 HydrophobicContact CE1-CZ 4.3Å; Y72-F78 HydrophobicContact CG-CE1 4.19Å; Y72-F78 AromaticContact CG-CZ 3.95Å; Y72-F78 HydrophobicContact CG-CZ 3.95Å; T75-F78 HydrophobicContact CG2-CD1 4.39Å; T75-F78 HydrophobicContact CG2-CD2 3.79Å; T75-F78 HydrophobicContact CG2-CE1 4.18Å; T75-F78 HydrophobicContact CG2-CE2 3.52Å; T75-F78 HydrophobicContact CG2-CG 4.21Å; T75-F78 HydrophobicContact CG2-CZ 3.74Å; F78-V101 HydrophobicContact CB-CG1 4.14Å; F78-V101 HydrophobicContact CD1-CG1 4.1Å; F78-V101 HydrophobicContact CD1-CG2 3.91Å; F78-V101 HydrophobicContact CD2-CG1 3.53Å; F78-V101 HydrophobicContact CE1-CG1 4.4Å; F78-V101 HydrophobicContact CE1-CG2 4.16Å; F78-V101 HydrophobicContact CE2-CG1 3.9Å; F78-V101 HydrophobicContact CG-CG1 3.65Å; F78-V101 HydrophobicContact CG-CG2 4.24Å; F78-V101 HydrophobicContact CZ-CG1 4.31Å; F78-C105 HydrophobicContact CD2-CB 4.48Å; F78-C105 HydrophobicContact CE2-CB 3.54Å; F78-C105 HydrophobicContact CZ-CB 4.13Å; F78-V108 HydrophobicContact CD2-CB 3.95Å; F78-V108 HydrophobicContact CD2-CG1 3.51Å; F78-V108 HydrophobicContact CE2-CB 4.05Å; F78-V108 HydrophobicContact CE2-CG1 3.83Å; F78-V108 HydrophobicContact CE2-CG2 4.4Å; F78-P109 PolarHBondContact N-O 3.12Å; F78-I110 HydrophobicContact CB-CG1 4.29Å; F78-I110 WeakPolarHBondContact O-CA 3.43Å; F78-L111 PolarHBondContact O-N 3.1Å
79	V	98.8	Very high	98	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	112.3	165.4	175.7	0	0	0	0	107.5	V7 V8 V9 L111 V113 V168 A172	V7-V79 PolarHBondContact O-N 3.22Å; V8-V79 WeakPolarHBondContact CA-O 3.33Å; V8-V79 HydrophobicContact CG1-CB 4.33Å; V8-V79 HydrophobicContact CG1-CG1 4.26Å; V8-V79 HydrophobicContact CG2-CB 4.29Å; V9-V79 PolarHBondContact N-O 2.95Å; V79-L111 HydrophobicContact CG2-CB 4.35Å; V79-V113 HydrophobicContact CG1-CB 4.03Å; V79-V113 HydrophobicContact CG1-CG2 3.53Å; V79-V168 HydrophobicContact CG1-CG1 4.48Å; V79-A172 HydrophobicContact CG2-CB 4.4Å
80	I	98.9	Very high	98.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	115.7	173.2	-56.5	-179.2	0	0	0	108.1	V9 V93 W97 H98 V101 I110 L111 V113	V9-I80 HydrophobicContact CG2-CB 4.31Å; V9-I80 HydrophobicContact CG2-CG1 3.74Å; V9-I80 HydrophobicContact CG2-CG2 4.44Å; I80-V93 HydrophobicContact CG2-CG1 4.03Å; I80-V93 HydrophobicContact CG2-CG2 4.03Å; I80-W97 HydrophobicContact CD1-CB 4.43Å; I80-W97 HydrophobicContact CG2-CB 3.68Å; I80-W97 HydrophobicContact CG2-CG 4.29Å; I80-H98 HydrophobicContact CD1-CB 4.29Å; I80-V101 HydrophobicContact CD1-CG2 4.26Å; I80-I110 HydrophobicContact CB-CG2 4.49Å; I80-I110 HydrophobicContact CD1-CD1 4.32Å; I80-I110 HydrophobicContact CD1-CG2 3.63Å; I80-I110 HydrophobicContact CG1-CG2 3.82Å; I80-L111 PolarHBondContact N-O 2.84Å; I80-V113 PolarHBondContact O-N 3.43Å
81	C	98.9	Very high	98.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	140.9	-179.8	-66.1	0	0	0	0	112.1	V9 G10 V14 K16 V113 T115	V9-C81 PolarHBondContact O-N 3.01Å; G10-C81 WeakPolarHBondContact CA-O 3.22Å; V14-C81 HydrophobicContact CG2-CB 3.9Å; K16-C81 HydrophobicContact CG-CB 4.01Å; C81-V113 WeakPolarHBondContact CA-O 3.39Å; C81-T115 HydrophobicContact CB-CG2 4.06Å
82	F	98.9	Very high	98.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	157.3	160.6	72.1	-88.1	0	0	0	109.1	I84 S89 Y90 V93 L112 V113 G114 T115 I137 Y154	F82-I84 HydrophobicContact CE2-CG1 4.41Å; F82-S89 WeakPolarHBondContact CB-O 3.31Å; F82-Y90 HydrophobicContact CD2-CD2 4.2Å; F82-Y90 HydrophobicContact CE1-CD2 4.33Å; F82-Y90 AromaticContact CE2-CD2 3.89Å; F82-Y90 HydrophobicContact CE2-CD2 3.89Å; F82-Y90 AromaticContact CZ-CD2 3.94Å; F82-Y90 HydrophobicContact CZ-CD2 3.94Å; F82-V93 HydrophobicContact CB-CG2 3.93Å; F82-V93 HydrophobicContact CD1-CG2 4.19Å; F82-V93 HydrophobicContact CG-CG2 4.41Å; F82-L112 HydrophobicContact CD1-CD1 3.81Å; F82-L112 HydrophobicContact CD1-CG 4.29Å; F82-L112 HydrophobicContact CE1-CD1 3.95Å; F82-L112 HydrophobicContact CE1-CD2 4.14Å; F82-L112 HydrophobicContact CE1-CG 3.93Å; F82-V113 PolarHBondContact N-O 3.2Å; F82-G114 CarbonylContact O-C 3.51Å; F82-G114 WeakPolarHBondContact O-CA 3.43Å; F82-T115 PolarHBondContact O-N 3.17Å; F82-T115 PolarHBondContact O-OG1 3.33Å; F82-I137 HydrophobicContact CD2-CG1 4.48Å; F82-I137 HydrophobicContact CE2-CB 3.94Å; F82-I137 HydrophobicContact CE2-CG1 4.04Å; F82-I137 HydrophobicContact CE2-CG2 3.71Å; F82-I137 HydrophobicContact CZ-CG2 4.05Å; F82-Y154 AromaticContact CE1-CE2 3.79Å; F82-Y154 HydrophobicContact CE1-CE2 3.79Å; F82-Y154 AromaticContact CZ-CE2 3.88Å; F82-Y154 HydrophobicContact CZ-CE2 3.88Å
83	S	98.9	Very high	98.5	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	131.7	177.7	-178.1	0	0	0	0	110.7	S85 S86 S89 T115 K116	S83-S85 PolarHBondContact O-N 3.05Å; S83-S85 PolarHBondContact OG-OG 3.35Å; S83-S86 PolarHBondContact O-N 3.06Å; S83-S89 PolarHBondContact N-OG 3.08Å; S83-T115 WeakPolarHBondContact CA-OG1 3.32Å; S83-K116 WeakPolarHBondContact OG-CD 3.38Å
84	I	98.8	Very high	98.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-31.9	177.1	-77	161.9	0	0	0	111.8	F82 S86 T115 S117 R120 P136 I137 E156	F82-I84 HydrophobicContact CE2-CG1 4.41Å; I84-S86 VanDerWaalsContact C-N 3.34Å; I84-T115 WeakPolarHBondContact CB-O 3.25Å; I84-T115 PolarHBondContact N-O 3.41Å; I84-S117 VanDerWaalsContact CD1-CB 3.48Å; I84-R120 VanDerWaalsContact CD1-NH2 3.34Å; I84-R120 HydrophobicContact CG2-CB 3.95Å; I84-R120 HydrophobicContact CG2-CG 4.47Å; I84-P136 HydrophobicContact CG2-CB 4.27Å; I84-P136 CarbonylContact O-C 3.44Å; I84-P136 WeakPolarHBondContact O-CA 2.85Å; I84-I137 PolarHBondContact O-N 2.86Å; I84-E156 HydrophobicContact CD1-CB 4.19Å; I84-E156 HydrophobicContact CD1-CG 4.02Å
85	S	98.3	Very high	98.5	Very high	20 Å²	20	27.2 Å²	27.2	14%	0.14	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	3.8	175.7	59	0	0	0	0	115.2	S83 L119	S83-S85 PolarHBondContact O-N 3.05Å; S83-S85 PolarHBondContact OG-OG 3.35Å; S85-L119 WeakPolarHBondContact OG-CD1 3.08Å
86	S	98.6	Very high	98.5	Very high	42 Å²	42	28.4 Å²	28.4	29%	0.294	15%	0.151	S	C	.	.			trans	-129.7	91.8	-179.6	179.5	0	0	0	0	111.4	S83 I84 A88 S89 Y90	S83-S86 PolarHBondContact O-N 3.06Å; I84-S86 VanDerWaalsContact C-N 3.34Å; S86-A88 PolarHBondContact O-N 3.09Å; S86-S89 WeakPolarHBondContact CB-OG 3.4Å; S86-S89 PolarHBondContact O-N 3.46Å; S86-S89 PolarHBondContact O-OG 3.26Å; S86-S89 PolarHBondContact OG-N 2.88Å; S86-Y90 PolarHBondContact O-N 3.14Å
87	P	98.5	Very high	98.6	Very high	17 Å²	17	27 Å²	27	11%	0.11	14%	0.143	C	C	.	.	H	α-helix	trans	-57.2	-33.2	176.4	-28.2	37.7	0	0	0	114	S89 Y90 E91 L129 Q134 A135 I137	P87-S89 VanDerWaalsContact C-N 3.35Å; P87-S89 PolarHBondContact O-N 3.22Å; P87-Y90 WeakPolarHBondContact O-CB 3.35Å; P87-Y90 PolarHBondContact O-N 3.29Å; P87-E91 PolarHBondContact O-N 3.39Å; P87-E91 VanDerWaalsContact O-N 3.1Å; P87-L129 HydrophobicContact CG-CD2 4.1Å; P87-Q134 HydrophobicContact CG-CB 4.18Å; P87-A135 WeakPolarHBondContact CG-O 3.32Å; P87-I137 HydrophobicContact CB-CD1 4.2Å; P87-I137 HydrophobicContact CG-CD1 4.37Å
88	A	98.4	Very high	98.6	Very high	55 Å²	55	28.9 Å²	28.9	46%	0.455	15%	0.152	S	C	.	.	H	α-helix	trans	-60.1	-43.7	174	0	0	0	0	0	112.1	S86 Y90 E91 N92	S86-A88 PolarHBondContact O-N 3.09Å; A88-Y90 VanDerWaalsContact C-N 3.26Å; A88-Y90 PolarHBondContact O-N 2.68Å; A88-E91 PolarHBondContact O-N 3.46Å; A88-N92 VanDerWaalsContact O-CG 3.29Å; A88-N92 PolarHBondContact O-N 3.36Å; A88-N92 PolarHBondContact O-ND2 2.98Å
89	S	98.8	Very high	98.6	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	17%	0.169	C	C	.	.	H	α-helix	trans	-66	-29.7	178.3	72.2	0	0	0	0	113.1	D11 F82 S83 S86 P87 V93	D11-S89 VanDerWaalsContact OD2-CA 3.29Å; D11-S89 WeakPolarHBondContact OD2-CA 3.29Å; D11-S89 WeakPolarHBondContact OD2-CB 3.46Å; F82-S89 WeakPolarHBondContact CB-O 3.31Å; S83-S89 PolarHBondContact N-OG 3.08Å; S86-S89 WeakPolarHBondContact CB-OG 3.4Å; S86-S89 PolarHBondContact O-N 3.46Å; S86-S89 PolarHBondContact O-OG 3.26Å; S86-S89 PolarHBondContact OG-N 2.88Å; P87-S89 VanDerWaalsContact C-N 3.35Å; P87-S89 PolarHBondContact O-N 3.22Å; S89-V93 PolarHBondContact O-N 2.69Å
90	Y	98.8	Very high	98.5	Very high	19 Å²	19	32.8 Å²	32.8	8%	0.075	18%	0.175	C	C	.	.	H	α-helix	trans	-67.2	-45.7	173.4	165.7	-86.7	0	0	0	111.3	F82 S86 P87 A88 N92 V93 I137 Q141 L145	F82-Y90 HydrophobicContact CD2-CD2 4.2Å; F82-Y90 HydrophobicContact CE1-CD2 4.33Å; F82-Y90 AromaticContact CE2-CD2 3.89Å; F82-Y90 HydrophobicContact CE2-CD2 3.89Å; F82-Y90 AromaticContact CZ-CD2 3.94Å; F82-Y90 HydrophobicContact CZ-CD2 3.94Å; S86-Y90 PolarHBondContact O-N 3.14Å; P87-Y90 WeakPolarHBondContact O-CB 3.35Å; P87-Y90 PolarHBondContact O-N 3.29Å; A88-Y90 VanDerWaalsContact C-N 3.26Å; A88-Y90 PolarHBondContact O-N 2.68Å; Y90-N92 VanDerWaalsContact C-N 3.34Å; Y90-N92 PolarHBondContact O-N 3.42Å; Y90-V93 WeakPolarHBondContact O-CB 3.42Å; Y90-V93 PolarHBondContact O-N 2.9Å; Y90-I137 HydrophobicContact CD1-CD1 4.1Å; Y90-I137 HydrophobicContact CD2-CD1 4.2Å; Y90-I137 HydrophobicContact CD2-CG1 4.25Å; Y90-I137 HydrophobicContact CD2-CG2 3.84Å; Y90-I137 HydrophobicContact CE2-CG2 4.12Å; Y90-I137 HydrophobicContact CG-CD1 3.81Å; Y90-I137 HydrophobicContact CG-CG1 4.13Å; Y90-Q141 HydrophobicContact CE2-CB 4.19Å; Y90-Q141 PolarHBondContact OH-O 2.9Å; Y90-L145 HydrophobicContact CD2-CD2 3.45Å; Y90-L145 VanDerWaalsContact CD2-CD2 3.45Å; Y90-L145 HydrophobicContact CE2-CB 3.6Å; Y90-L145 HydrophobicContact CE2-CD2 3.31Å; Y90-L145 HydrophobicContact CE2-CG 4.05Å; Y90-L145 HydrophobicContact CG-CD2 4.15Å
91	E	98.6	Very high	98.5	Very high	90 Å²	90	32.8 Å²	32.8	42%	0.421	18%	0.175	S	C	.	.	H	α-helix	trans	-64.8	-39.5	176.7	-66	-57.2	147.8	0	0	111.7	P87 A88 V93 K94 H95	P87-E91 PolarHBondContact O-N 3.39Å; P87-E91 VanDerWaalsContact O-N 3.1Å; A88-E91 PolarHBondContact O-N 3.46Å; E91-V93 PolarHBondContact O-N 2.97Å; E91-V93 VanDerWaalsContact O-N 3.12Å; E91-K94 PolarHBondContact O-N 3.26Å; E91-H95 PolarHBondContact O-CD2 3.13Å; E91-H95 PolarHBondContact O-N 3.48Å
92	N	98.8	Very high	98.4	Very high	55 Å²	55	38 Å²	38	29%	0.294	20%	0.197	S	C	.	.	H	α-helix	trans	-61.5	-21.7	178	-73.8	-19.5	0	0	0	113.4	D11 A88 Y90 K94 H95 K96 W97	D11-N92 WeakPolarHBondContact OD1-CB 3.46Å; D11-N92 PolarHBondContact OD1-ND2 2.57Å; D11-N92 PolarHBondContact OD2-ND2 3.41Å; A88-N92 VanDerWaalsContact O-CG 3.29Å; A88-N92 PolarHBondContact O-N 3.36Å; A88-N92 PolarHBondContact O-ND2 2.98Å; Y90-N92 VanDerWaalsContact C-N 3.34Å; Y90-N92 PolarHBondContact O-N 3.42Å; N92-K94 VanDerWaalsContact C-N 3.3Å; N92-K94 PolarHBondContact O-N 2.98Å; N92-H95 PolarHBondContact O-N 3.14Å; N92-K96 WeakPolarHBondContact O-CA 3.37Å; N92-K96 WeakPolarHBondContact O-CB 3.35Å; N92-K96 PolarHBondContact O-N 2.88Å; N92-W97 VanDerWaalsContact O-CD1 3.29Å; N92-W97 PolarHBondContact O-N 3.39Å; N92-W97 VanDerWaalsContact O-N 3.1Å
93	V	98.8	Very high	98.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	I	π-helix	trans	-56.5	-48.2	170.4	173.5	0	0	0	0	110.5	I80 F82 S89 Y90 E91 H98 L112 L145 I149	I80-V93 HydrophobicContact CG2-CG1 4.03Å; I80-V93 HydrophobicContact CG2-CG2 4.03Å; F82-V93 HydrophobicContact CB-CG2 3.93Å; F82-V93 HydrophobicContact CD1-CG2 4.19Å; F82-V93 HydrophobicContact CG-CG2 4.41Å; S89-V93 PolarHBondContact O-N 2.69Å; Y90-V93 WeakPolarHBondContact O-CB 3.42Å; Y90-V93 PolarHBondContact O-N 2.9Å; E91-V93 PolarHBondContact O-N 2.97Å; E91-V93 VanDerWaalsContact O-N 3.12Å; V93-H98 VanDerWaalsContact O-CB 3.25Å; V93-H98 WeakPolarHBondContact O-CB 3.38Å; V93-H98 PolarHBondContact O-N 2.87Å; V93-L112 HydrophobicContact CG1-CD1 3.84Å; V93-L112 HydrophobicContact CG2-CD1 4.12Å; V93-L145 HydrophobicContact CB-CD2 3.88Å; V93-L145 HydrophobicContact CG1-CD1 4.38Å; V93-L145 HydrophobicContact CG1-CD2 3.93Å; V93-L145 HydrophobicContact CG1-CG 4.31Å; V93-L145 HydrophobicContact CG2-CD2 4.21Å; V93-I149 HydrophobicContact CG1-CD1 3.86Å; V93-I149 HydrophobicContact CG1-CG2 4.45Å
94	K	97.6	Very high	98.3	Very high	102 Å²	102	49.1 Å²	49.1	44%	0.443	25%	0.249	S	C	.	.	I	π-helix	trans	-74.6	-35.2	-177.7	-175.1	178.3	177.6	179.9	0	112.1	E91 N92 P99 L145	E91-K94 PolarHBondContact O-N 3.26Å; N92-K94 VanDerWaalsContact C-N 3.3Å; N92-K94 PolarHBondContact O-N 2.98Å; K94-P99 VanDerWaalsContact O-CD 3.28Å; K94-P99 WeakPolarHBondContact O-CD 3.36Å; K94-P99 VanDerWaalsContact O-CG 3.22Å; K94-P99 WeakPolarHBondContact O-CG 3.23Å; K94-L145 HydrophobicContact CB-CD1 4.33Å
95	H	97.5	Very high	98.2	Very high	126 Å²	126	50 Å²	50	58%	0.583	26%	0.255	S	S	*	.	I	π-helix	trans	-91.2	-25.6	-171.1	-66.7	-60.9	0	0	0	114.5	E91 N92	E91-H95 PolarHBondContact O-CD2 3.13Å; E91-H95 PolarHBondContact O-N 3.48Å; N92-H95 PolarHBondContact O-N 3.14Å
96	K	98	Very high	98.1	Very high	36 Å²	36	52.7 Å²	52.7	16%	0.157	27%	0.272	C	S	.	.	I	π-helix	trans	-126.4	-62.5	-176.2	-175.8	-178.2	178.1	91.7	0	112	E62 D65 N92 P99 E100	E62-K96 IonicContact OE1-NZ 2.72Å; E62-K96 PolarHBondContact OE1-NZ 3.28Å; D65-K96 IonicContact OD1-NZ 3.38Å; D65-K96 PolarHBondContact OD1-NZ 3.49Å; D65-K96 IonicContact OD2-NZ 2.96Å; D65-K96 PolarHBondContact OD2-NZ 3.2Å; N92-K96 WeakPolarHBondContact O-CA 3.37Å; N92-K96 WeakPolarHBondContact O-CB 3.35Å; N92-K96 PolarHBondContact O-N 2.88Å; K96-P99 WeakPolarHBondContact O-CD 3.37Å; K96-E100 VanDerWaalsContact O-CB 3.32Å; K96-E100 WeakPolarHBondContact O-CB 3.25Å; K96-E100 PolarHBondContact O-N 2.79Å
97	W	98.7	Very high	97.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.296	C	S	.	.	I	π-helix	trans	-69.7	-48.3	-164.6	-59.6	108.1	0	0	0	114.2	V9 G10 D11 R68 I80 N92 E100 V101	V9-W97 HydrophobicContact CB-CE3 3.77Å; V9-W97 HydrophobicContact CB-CZ3 3.97Å; V9-W97 HydrophobicContact CG2-CE3 4.04Å; G10-W97 VanDerWaalsContact O-CH2 3.25Å; G10-W97 WeakPolarHBondContact O-CH2 3.3Å; G10-W97 WeakPolarHBondContact O-CZ2 3.44Å; D11-W97 PolarHBondContact OD1-NE1 2.88Å; R68-W97 VanDerWaalsContact CZ-CH2 3.49Å; I80-W97 HydrophobicContact CD1-CB 4.43Å; I80-W97 HydrophobicContact CG2-CB 3.68Å; I80-W97 HydrophobicContact CG2-CG 4.29Å; N92-W97 VanDerWaalsContact O-CD1 3.29Å; N92-W97 PolarHBondContact O-N 3.39Å; N92-W97 VanDerWaalsContact O-N 3.1Å; W97-E100 PolarHBondContact O-N 2.85Å; W97-V101 WeakPolarHBondContact O-CB 3.2Å; W97-V101 WeakPolarHBondContact O-CG2 3.47Å; W97-V101 PolarHBondContact O-N 2.96Å
98	H	98.6	Very high	97.8	Very high	40 Å²	40	56.8 Å²	56.8	19%	0.185	30%	0.3	C	S	.	.	H	α-helix	trans	-64.6	-49.3	177.2	167.5	-97.9	0	0	0	111.8	I80 V93 E100 V101 F102 I149	I80-H98 HydrophobicContact CD1-CB 4.29Å; V93-H98 VanDerWaalsContact O-CB 3.25Å; V93-H98 WeakPolarHBondContact O-CB 3.38Å; V93-H98 PolarHBondContact O-N 2.87Å; H98-E100 VanDerWaalsContact C-N 3.3Å; H98-E100 PolarHBondContact O-N 2.87Å; H98-V101 PolarHBondContact O-N 2.98Å; H98-F102 VanDerWaalsContact O-CB 3.22Å; H98-F102 WeakPolarHBondContact O-CB 3.48Å; H98-F102 PolarHBondContact O-N 3.21Å; H98-I149 HydrophobicContact CB-CB 4.26Å; H98-I149 HydrophobicContact CB-CG2 4.03Å; H98-I149 PolarHBondContact NE2-O 2.85Å
99	P	98.5	Very high	97.8	Very high	55 Å²	55	55.6 Å²	55.6	36%	0.357	29%	0.287	S	S	.	.	H	α-helix	trans	-54.2	-42.4	174.4	-28.4	35.3	0	0	0	114	K94 K96 H103	K94-P99 VanDerWaalsContact O-CD 3.28Å; K94-P99 WeakPolarHBondContact O-CD 3.36Å; K94-P99 VanDerWaalsContact O-CG 3.22Å; K94-P99 WeakPolarHBondContact O-CG 3.23Å; K96-P99 WeakPolarHBondContact O-CD 3.37Å; P99-H103 VanDerWaalsContact O-CB 3.25Å; P99-H103 WeakPolarHBondContact O-CB 3.29Å; P99-H103 PolarHBondContact O-N 3.45Å
100	E	98.5	Very high	97.8	Very high	28 Å²	28	56.2 Å²	56.2	13%	0.131	29%	0.29	C	S	.	.	H	α-helix	trans	-65.5	-50.5	178.8	-175.1	-178.2	112.9	0	0	112.2	R68 Y72 K96 W97 H98 F102 H103 H104	R68-E100 IonicContact CZ-OE1 2.65Å; R68-E100 IonicContact CZ-OE2 3.14Å; R68-E100 IonicContact NE-OE1 3.92Å; R68-E100 PolarHBondContact NE-OE1 3Å; R68-E100 IonicContact NE-OE2 2.69Å; R68-E100 VanDerWaalsContact NH2-CD 3.31Å; R68-E100 IonicContact NH2-OE1 3.14Å; R68-E100 PolarHBondContact NH2-OE1 2.96Å; R68-E100 VanDerWaalsContact NH2-OE1 3.12Å; R68-E100 IonicContact NH2-OE2 2.88Å; R68-E100 PolarHBondContact NH2-OE2 3.18Å; Y72-E100 HydrophobicContact CE2-CG 4.23Å; Y72-E100 PolarHBondContact OH-OE1 2.56Å; K96-E100 VanDerWaalsContact O-CB 3.32Å; K96-E100 WeakPolarHBondContact O-CB 3.25Å; K96-E100 PolarHBondContact O-N 2.79Å; W97-E100 PolarHBondContact O-N 2.85Å; H98-E100 VanDerWaalsContact C-N 3.3Å; H98-E100 PolarHBondContact O-N 2.87Å; E100-F102 VanDerWaalsContact C-N 3.31Å; E100-F102 PolarHBondContact O-N 3.41Å; E100-H103 PolarHBondContact O-N 3.42Å; E100-H104 PolarHBondContact O-CD2 2.86Å; E100-H104 PolarHBondContact O-N 3.4Å
101	V	98.3	Very high	97.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60	-44.6	177.7	170.2	0	0	0	0	110.4	V9 F78 I80 W97 H98 H103 H104 C105 I110	V9-V101 HydrophobicContact CG2-CG2 3.97Å; F78-V101 HydrophobicContact CB-CG1 4.14Å; F78-V101 HydrophobicContact CD1-CG1 4.1Å; F78-V101 HydrophobicContact CD1-CG2 3.91Å; F78-V101 HydrophobicContact CD2-CG1 3.53Å; F78-V101 HydrophobicContact CE1-CG1 4.4Å; F78-V101 HydrophobicContact CE1-CG2 4.16Å; F78-V101 HydrophobicContact CE2-CG1 3.9Å; F78-V101 HydrophobicContact CG-CG1 3.65Å; F78-V101 HydrophobicContact CG-CG2 4.24Å; F78-V101 HydrophobicContact CZ-CG1 4.31Å; I80-V101 HydrophobicContact CD1-CG2 4.26Å; W97-V101 WeakPolarHBondContact O-CB 3.2Å; W97-V101 WeakPolarHBondContact O-CG2 3.47Å; W97-V101 PolarHBondContact O-N 2.96Å; H98-V101 PolarHBondContact O-N 2.98Å; V101-H103 PolarHBondContact O-N 3.11Å; V101-H104 PolarHBondContact O-N 2.81Å; V101-C105 CarbonylContact O-C 3.52Å; V101-C105 WeakPolarHBondContact O-CA 3.19Å; V101-C105 WeakPolarHBondContact O-CB 3.38Å; V101-C105 PolarHBondContact O-N 3.34Å; V101-I110 HydrophobicContact CG1-CD1 3.8Å; V101-I110 HydrophobicContact CG1-CG1 4.07Å
102	F	97.3	Very high	97.8	Very high	108 Å²	108	51 Å²	51	47%	0.474	27%	0.267	S	S	.	.	H	α-helix	trans	-65.6	-38	179.8	-173.4	-98.6	0	0	0	112.4	H98 E100 P106	H98-F102 VanDerWaalsContact O-CB 3.22Å; H98-F102 WeakPolarHBondContact O-CB 3.48Å; H98-F102 PolarHBondContact O-N 3.21Å; E100-F102 VanDerWaalsContact C-N 3.31Å; E100-F102 PolarHBondContact O-N 3.41Å; F102-P106 HydrophobicContact CD2-CB 4.27Å; F102-P106 HydrophobicContact CE2-CB 4.05Å; F102-P106 HydrophobicContact CZ-CB 4.26Å; F102-P106 WeakPolarHBondContact O-CA 3.35Å; F102-P106 WeakPolarHBondContact O-CB 3.22Å; F102-P106 WeakPolarHBondContact O-CD 3.39Å
103	H	97.6	Very high	97.8	Very high	147 Å²	147	48.4 Å²	48.4	68%	0.681	25%	0.253	S	S	*	.	H	α-helix	trans	-61.4	-44	176.7	178	71.3	0	0	0	112.1	P99 E100 V101	P99-H103 VanDerWaalsContact O-CB 3.25Å; P99-H103 WeakPolarHBondContact O-CB 3.29Å; P99-H103 PolarHBondContact O-N 3.45Å; E100-H103 PolarHBondContact O-N 3.42Å; V101-H103 PolarHBondContact O-N 3.11Å
104	H	97.8	Very high	97.8	Very high	91 Å²	91	48.4 Å²	48.4	42%	0.421	25%	0.253	S	S	.	.	H	α-helix	trans	-87.6	-29.5	-177	-73.5	-72	0	0	0	114.2	T69 Y72 E100 V101	T69-H104 WeakPolarHBondContact CG2-NE2 3.5Å; Y72-H104 HydrophobicContact CD2-CB 3.69Å; Y72-H104 AromaticContact CD2-CD2 3.97Å; Y72-H104 AromaticContact CD2-CG 3.87Å; Y72-H104 HydrophobicContact CE2-CB 4.35Å; Y72-H104 AromaticContact CE2-CD2 3.97Å; E100-H104 PolarHBondContact O-CD2 2.86Å; E100-H104 PolarHBondContact O-N 3.4Å; V101-H104 PolarHBondContact O-N 2.81Å
105	C	97.1	Very high	97.9	Very high	19 Å²	19	43.8 Å²	43.8	13%	0.128	23%	0.233	C	C	.	.			trans	-143.7	61.1	-168.3	-72.7	0	0	0	0	111.8	F78 V101 S107 V108	F78-C105 HydrophobicContact CD2-CB 4.48Å; F78-C105 HydrophobicContact CE2-CB 3.54Å; F78-C105 HydrophobicContact CZ-CB 4.13Å; V101-C105 CarbonylContact O-C 3.52Å; V101-C105 WeakPolarHBondContact O-CA 3.19Å; V101-C105 WeakPolarHBondContact O-CB 3.38Å; V101-C105 PolarHBondContact O-N 3.34Å; C105-S107 PolarHBondContact O-N 3.43Å; C105-S107 VanDerWaalsContact O-N 3.08Å; C105-V108 HydrophobicContact CB-CB 4.11Å; C105-V108 HydrophobicContact CB-CG2 3.73Å; C105-V108 PolarHBondContact O-N 2.98Å
106	P	95.8	Very high	97.9	Very high	76 Å²	76	41 Å²	41	49%	0.494	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.2	-168.5	25.2	-35.9	0	0	0	115.2	F102	F102-P106 HydrophobicContact CD2-CB 4.27Å; F102-P106 HydrophobicContact CE2-CB 4.05Å; F102-P106 HydrophobicContact CZ-CB 4.26Å; F102-P106 WeakPolarHBondContact O-CA 3.35Å; F102-P106 WeakPolarHBondContact O-CB 3.22Å; F102-P106 WeakPolarHBondContact O-CD 3.39Å
107	S	93.9	Very high	97.9	Very high	116 Å²	116	40.5 Å²	40.5	81%	0.811	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105	-1.1	-177.7	-50.8	0	0	0	0	113.8	C105	C105-S107 PolarHBondContact O-N 3.43Å; C105-S107 VanDerWaalsContact O-N 3.08Å
108	V	97.3	Very high	97.9	Very high	29 Å²	29	42.6 Å²	42.6	18%	0.176	23%	0.231	C	C	.	.	S	Bend	trans	-84.2	130.2	-177.5	-178.3	0	0	0	0	109	T75 F78 C105	T75-V108 HydrophobicContact CG2-CG1 4.15Å; F78-V108 HydrophobicContact CD2-CB 3.95Å; F78-V108 HydrophobicContact CD2-CG1 3.51Å; F78-V108 HydrophobicContact CE2-CB 4.05Å; F78-V108 HydrophobicContact CE2-CG1 3.83Å; F78-V108 HydrophobicContact CE2-CG2 4.4Å; C105-V108 HydrophobicContact CB-CB 4.11Å; C105-V108 HydrophobicContact CB-CG2 3.73Å; C105-V108 PolarHBondContact O-N 2.98Å
109	P	97.6	Very high	97.9	Very high	29 Å²	29	42.4 Å²	42.4	19%	0.188	23%	0.231	C	C	.	.			trans	-61.8	144.1	178.7	25.1	-34.3	0	0	0	111.8	N76 V77 F78 V152	N76-P109 WeakPolarHBondContact O-CD 3.46Å; N76-P109 WeakPolarHBondContact O-CG 3.43Å; V77-P109 HydrophobicContact CB-CG 4.29Å; V77-P109 HydrophobicContact CG2-CG 4.32Å; F78-P109 PolarHBondContact N-O 3.12Å; P109-V152 HydrophobicContact CB-CG2 3.7Å
110	I	98.4	Very high	97.9	Very high	15 Å²	15	42.4 Å²	42.4	8%	0.077	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.5	-179.7	-61.7	171.9	0	0	0	109.3	F78 I80 V101 I149 A151 V152	F78-I110 HydrophobicContact CB-CG1 4.29Å; F78-I110 WeakPolarHBondContact O-CA 3.43Å; I80-I110 HydrophobicContact CB-CG2 4.49Å; I80-I110 HydrophobicContact CD1-CD1 4.32Å; I80-I110 HydrophobicContact CD1-CG2 3.63Å; I80-I110 HydrophobicContact CG1-CG2 3.82Å; V101-I110 HydrophobicContact CG1-CD1 3.8Å; V101-I110 HydrophobicContact CG1-CG1 4.07Å; I110-I149 HydrophobicContact CG2-CD1 4.48Å; I110-A151 HydrophobicContact CG2-CB 4.42Å; I110-A151 CarbonylContact O-C 3.56Å; I110-A151 WeakPolarHBondContact O-CA 3.35Å; I110-V152 PolarHBondContact O-N 3.48Å
111	L	98.6	Very high	97.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	136	161.7	-81.7	69.6	0	0	0	109	V77 F78 V79 I80 L155 E171 A172	V77-L111 HydrophobicContact CG2-CD1 3.71Å; F78-L111 PolarHBondContact O-N 3.1Å; V79-L111 HydrophobicContact CG2-CB 4.35Å; I80-L111 PolarHBondContact N-O 2.84Å; L111-L155 HydrophobicContact CD2-CD1 4.05Å; L111-E171 HydrophobicContact CD2-CB 3.84Å; L111-A172 HydrophobicContact CD2-CB 4.04Å
112	L	98.9	Very high	97.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	127.4	168.9	-177.6	65.4	0	0	0	109.1	F82 V93 L145 A146 I149 A151 R153 Y154 L155	F82-L112 HydrophobicContact CD1-CD1 3.81Å; F82-L112 HydrophobicContact CD1-CG 4.29Å; F82-L112 HydrophobicContact CE1-CD1 3.95Å; F82-L112 HydrophobicContact CE1-CD2 4.14Å; F82-L112 HydrophobicContact CE1-CG 3.93Å; V93-L112 HydrophobicContact CG1-CD1 3.84Å; V93-L112 HydrophobicContact CG2-CD1 4.12Å; L112-L145 HydrophobicContact CD1-CD2 4.32Å; L112-L145 HydrophobicContact CD2-CB 3.89Å; L112-L145 HydrophobicContact CD2-CD2 3.84Å; L112-L145 HydrophobicContact CD2-CG 3.72Å; L112-A146 HydrophobicContact CB-CB 4.28Å; L112-A146 HydrophobicContact CD2-CB 3.88Å; L112-I149 HydrophobicContact CB-CD1 4.34Å; L112-I149 HydrophobicContact CD1-CD1 4.15Å; L112-I149 HydrophobicContact CD2-CD1 4.48Å; L112-A151 HydrophobicContact CB-CB 4.05Å; L112-R153 PolarHBondContact N-O 3.26Å; L112-Y154 HydrophobicContact CB-CD2 4.1Å; L112-Y154 HydrophobicContact CD2-CD2 3.85Å; L112-Y154 HydrophobicContact CD2-CE2 4.3Å; L112-Y154 HydrophobicContact CG-CD2 3.83Å; L112-Y154 HydrophobicContact CG-CE2 4.25Å; L112-Y154 WeakPolarHBondContact O-CA 3.3Å; L112-Y154 WeakPolarHBondContact O-CD2 3.45Å; L112-L155 PolarHBondContact O-N 2.87Å
113	V	98.9	Very high	97.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.1	-177.4	178.8	0	0	0	0	111.3	V79 I80 C81 F82 T115 L155 V168	V79-V113 HydrophobicContact CG1-CB 4.03Å; V79-V113 HydrophobicContact CG1-CG2 3.53Å; I80-V113 PolarHBondContact O-N 3.43Å; C81-V113 WeakPolarHBondContact CA-O 3.39Å; F82-V113 PolarHBondContact N-O 3.2Å; V113-T115 HydrophobicContact CG1-CG2 4.13Å; V113-L155 CarbonylContact C-O 3.59Å; V113-L155 VanDerWaalsContact CA-O 3.31Å; V113-L155 WeakPolarHBondContact CA-O 3.32Å; V113-L155 HydrophobicContact CG2-CB 4.48Å; V113-V168 HydrophobicContact CG1-CG2 4.02Å; V113-V168 HydrophobicContact CG2-CG1 3.91Å; V113-V168 HydrophobicContact CG2-CG2 4.04Å
114	G	98.9	Very high	97.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	104.6	167.7	0	0	0	0	0	110.6	F82 L155 E156 C157	F82-G114 CarbonylContact O-C 3.51Å; F82-G114 WeakPolarHBondContact O-CA 3.43Å; G114-L155 PolarHBondContact N-O 2.91Å; G114-E156 CarbonylContact O-C 3.59Å; G114-E156 WeakPolarHBondContact O-CA 3.5Å; G114-C157 PolarHBondContact O-N 2.68Å
115	T	98.9	Very high	97.8	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.025	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	164.4	178.3	58.9	0	0	0	0	111.6	V14 C81 F82 S83 I84 V113 S117 C157	V14-T115 WeakPolarHBondContact O-CB 3.32Å; V14-T115 PolarHBondContact O-OG1 2.79Å; C81-T115 HydrophobicContact CB-CG2 4.06Å; F82-T115 PolarHBondContact O-N 3.17Å; F82-T115 PolarHBondContact O-OG1 3.33Å; S83-T115 WeakPolarHBondContact CA-OG1 3.32Å; I84-T115 WeakPolarHBondContact CB-O 3.25Å; I84-T115 PolarHBondContact N-O 3.41Å; V113-T115 HydrophobicContact CG1-CG2 4.13Å; T115-S117 PolarHBondContact O-N 3.15Å; T115-C157 CarbonylContact C-O 3.57Å; T115-C157 WeakPolarHBondContact CA-O 3.48Å
116	K	98.5	Very high	97.8	Very high	67 Å²	67	50.7 Å²	50.7	29%	0.291	28%	0.278	S	S	.	.			trans	58.9	44.3	178	-43.5	-169	-166.5	179.4	0	112.7	A13 V14 S83 D118 L119 C157	A13-K116 WeakPolarHBondContact O-CE 3.44Å; A13-K116 PolarHBondContact O-NZ 2.96Å; V14-K116 VanDerWaalsContact O-CE 3.23Å; V14-K116 WeakPolarHBondContact O-CE 3.34Å; S83-K116 WeakPolarHBondContact OG-CD 3.38Å; K116-D118 WeakPolarHBondContact CA-OD1 3.33Å; K116-D118 PolarHBondContact O-N 3.49Å; K116-L119 HydrophobicContact CB-CD1 3.82Å; K116-L119 HydrophobicContact CB-CG 4.06Å; K116-L119 HydrophobicContact CD-CD1 3.78Å; K116-L119 HydrophobicContact CG-CD1 4.44Å; K116-L119 WeakPolarHBondContact O-CB 3.22Å; K116-L119 PolarHBondContact O-N 3.43Å; K116-C157 PolarHBondContact N-O 3.1Å
117	S	98.7	Very high	97.9	Very high	26 Å²	26	53.7 Å²	53.7	18%	0.182	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-61.8	-24.6	179.5	57.1	0	0	0	0	113.7	I84 T115 L119 R120 C157 S158	I84-S117 VanDerWaalsContact CD1-CB 3.48Å; T115-S117 PolarHBondContact O-N 3.15Å; S117-L119 PolarHBondContact O-N 3.43Å; S117-R120 WeakPolarHBondContact O-CB 3.34Å; S117-R120 PolarHBondContact O-N 2.93Å; S117-C157 PolarHBondContact N-O 3.44Å; S117-C157 PolarHBondContact OG-O 2.91Å; S117-S158 PolarHBondContact OG-N 3.36Å
118	D	98.3	Very high	98.1	Very high	45 Å²	45	54.1 Å²	54.1	24%	0.241	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-54.9	-33.6	170.1	52.4	-75.8	0	0	0	112.7	K116 R120 S158	K116-D118 WeakPolarHBondContact CA-OD1 3.33Å; K116-D118 PolarHBondContact O-N 3.49Å; D118-R120 VanDerWaalsContact C-N 3.26Å; D118-R120 PolarHBondContact O-N 3.4Å; D118-S158 VanDerWaalsContact CG-OG 3.25Å; D118-S158 WeakPolarHBondContact OD1-CB 3.35Å; D118-S158 PolarHBondContact OD1-OG 3.43Å
119	L	98.3	Very high	98.2	Very high	35 Å²	35	53.2 Å²	53.2	18%	0.183	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-78.4	-4	-177.8	-59.8	-176.8	0	0	0	114.3	S85 K116 S117 N121 D122 I125	S85-L119 WeakPolarHBondContact OG-CD1 3.08Å; K116-L119 HydrophobicContact CB-CD1 3.82Å; K116-L119 HydrophobicContact CB-CG 4.06Å; K116-L119 HydrophobicContact CD-CD1 3.78Å; K116-L119 HydrophobicContact CG-CD1 4.44Å; K116-L119 WeakPolarHBondContact O-CB 3.22Å; K116-L119 PolarHBondContact O-N 3.43Å; S117-L119 PolarHBondContact O-N 3.43Å; L119-N121 VanDerWaalsContact C-N 3.29Å; L119-N121 PolarHBondContact O-N 3.33Å; L119-D122 HydrophobicContact CD2-CB 4.27Å; L119-D122 PolarHBondContact O-N 2.84Å; L119-I125 HydrophobicContact CB-CG1 4.31Å; L119-I125 HydrophobicContact CD1-CG1 4.5Å; L119-I125 HydrophobicContact CD2-CG1 4.24Å
120	R	98.1	Very high	98.2	Very high	56 Å²	56	59.4 Å²	59.4	21%	0.211	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-62.3	-39.3	179.6	-177.6	173.6	-69.4	130.3	-3.8	112.3	I84 S117 D118 Q126 P136 I137 E156	I84-R120 VanDerWaalsContact CD1-NH2 3.34Å; I84-R120 HydrophobicContact CG2-CB 3.95Å; I84-R120 HydrophobicContact CG2-CG 4.47Å; S117-R120 WeakPolarHBondContact O-CB 3.34Å; S117-R120 PolarHBondContact O-N 2.93Å; D118-R120 VanDerWaalsContact C-N 3.26Å; D118-R120 PolarHBondContact O-N 3.4Å; R120-Q126 PolarHBondContact O-NE2 2.96Å; R120-P136 HydrophobicContact CG-CB 4.33Å; R120-I137 PolarHBondContact NE-O 2.86Å; R120-I137 VanDerWaalsContact NE-O 3.17Å; R120-I137 PolarHBondContact NH2-O 3.02Å; R120-E156 IonicContact CZ-OE1 3.29Å; R120-E156 IonicContact CZ-OE2 3.66Å; R120-E156 IonicContact NH1-OE1 2.68Å; R120-E156 IonicContact NH1-OE2 3.83Å; R120-E156 PolarHBondContact NH1-OE2 3.29Å; R120-E156 IonicContact NH2-OE1 3.51Å; R120-E156 PolarHBondContact NH2-OE1 2.97Å; R120-E156 IonicContact NH2-OE2 2.72Å; R120-E156 PolarHBondContact NH2-OE2 3.3Å
121	N	96.6	Very high	98.1	Very high	129 Å²	129	65.1 Å²	65.1	69%	0.69	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-103.8	7.5	-177.3	-63.7	-30	0	0	0	112.5	L119 T123	L119-N121 VanDerWaalsContact C-N 3.29Å; L119-N121 PolarHBondContact O-N 3.33Å; N121-T123 PolarHBondContact O-N 3.44Å
122	D	98	Very high	98.1	Very high	54 Å²	54	70.4 Å²	70.4	29%	0.289	34%	0.339	S	S	.	.			trans	-70.8	123.4	176.6	-178.5	-74.8	0	0	0	110.3	L119 E124 I125 Q126	L119-D122 HydrophobicContact CD2-CB 4.27Å; L119-D122 PolarHBondContact O-N 2.84Å; D122-E124 VanDerWaalsContact C-N 3.34Å; D122-E124 PolarHBondContact O-N 3.17Å; D122-E124 WeakPolarHBondContact OD1-CA 3.42Å; D122-E124 WeakPolarHBondContact OD1-CB 3.42Å; D122-E124 PolarHBondContact OD1-N 3.48Å; D122-I125 HydrophobicContact CB-CB 4.05Å; D122-I125 HydrophobicContact CB-CG1 4Å; D122-I125 PolarHBondContact O-N 3.3Å; D122-I125 WeakPolarHBondContact OD1-CG1 3.25Å; D122-I125 PolarHBondContact OD1-N 3.1Å; D122-Q126 WeakPolarHBondContact O-CB 3.36Å; D122-Q126 VanDerWaalsContact O-CG 3.3Å; D122-Q126 WeakPolarHBondContact O-CG 3.38Å; D122-Q126 PolarHBondContact O-N 2.71Å
123	T	97.8	Very high	98	Very high	109 Å²	109	78.1 Å²	78.1	67%	0.669	38%	0.38	S	S	*	.	H	α-helix	trans	-66.7	-34.2	-173.8	48.1	0	0	0	0	113.1	N121 K127	N121-T123 PolarHBondContact O-N 3.44Å; T123-K127 WeakPolarHBondContact O-CB 3.46Å; T123-K127 PolarHBondContact O-N 2.91Å
124	E	97.6	Very high	98	Very high	153 Å²	153	82 Å²	82	72%	0.715	40%	0.398	S	S	*	.	H	α-helix	trans	-73.4	-43.1	-179.6	-61.8	-169.5	161.6	0	0	110.5	D122 K127 K128	D122-E124 VanDerWaalsContact C-N 3.34Å; D122-E124 PolarHBondContact O-N 3.17Å; D122-E124 WeakPolarHBondContact OD1-CA 3.42Å; D122-E124 WeakPolarHBondContact OD1-CB 3.42Å; D122-E124 PolarHBondContact OD1-N 3.48Å; E124-K127 PolarHBondContact O-N 3.2Å; E124-K128 WeakPolarHBondContact O-CB 3.35Å; E124-K128 PolarHBondContact O-N 2.92Å
125	I	97.6	Very high	97.9	Very high	40 Å²	40	84.9 Å²	84.9	21%	0.205	42%	0.423	C	S	.	.	H	α-helix	trans	-61.1	-47.1	174.3	-65.6	-62.3	0	0	0	110.9	L119 D122 K127 K128 L129	L119-I125 HydrophobicContact CB-CG1 4.31Å; L119-I125 HydrophobicContact CD1-CG1 4.5Å; L119-I125 HydrophobicContact CD2-CG1 4.24Å; D122-I125 HydrophobicContact CB-CB 4.05Å; D122-I125 HydrophobicContact CB-CG1 4Å; D122-I125 PolarHBondContact O-N 3.3Å; D122-I125 WeakPolarHBondContact OD1-CG1 3.25Å; D122-I125 PolarHBondContact OD1-N 3.1Å; I125-K127 VanDerWaalsContact C-N 3.33Å; I125-K127 PolarHBondContact O-N 3.41Å; I125-K128 PolarHBondContact O-N 3.31Å; I125-L129 HydrophobicContact CG2-CD1 3.88Å; I125-L129 HydrophobicContact CG2-CG 4.48Å; I125-L129 WeakPolarHBondContact O-CB 3.38Å; I125-L129 WeakPolarHBondContact O-CG 3.32Å; I125-L129 PolarHBondContact O-N 2.76Å
126	Q	98	Very high	97.9	Very high	82 Å²	82	85.5 Å²	85.5	38%	0.383	43%	0.426	S	S	.	.	H	α-helix	trans	-60.3	-43.3	177.4	-76.1	-176.5	7	0	0	111.9	R120 D122 K130 P136	R120-Q126 PolarHBondContact O-NE2 2.96Å; D122-Q126 WeakPolarHBondContact O-CB 3.36Å; D122-Q126 VanDerWaalsContact O-CG 3.3Å; D122-Q126 WeakPolarHBondContact O-CG 3.38Å; D122-Q126 PolarHBondContact O-N 2.71Å; Q126-K130 VanDerWaalsContact O-CB 3.26Å; Q126-K130 WeakPolarHBondContact O-CB 3.37Å; Q126-K130 PolarHBondContact O-N 3.47Å; Q126-P136 HydrophobicContact CG-CG 4.01Å
127	K	98.1	Very high	97.9	Very high	138 Å²	138	82.5 Å²	82.5	60%	0.6	41%	0.414	S	S	*	.	H	α-helix	trans	-61.8	-49.4	177.1	-174.1	-174.1	174.9	-170.2	0	111.4	T123 E124 I125 L129 K130 E131	T123-K127 WeakPolarHBondContact O-CB 3.46Å; T123-K127 PolarHBondContact O-N 2.91Å; E124-K127 PolarHBondContact O-N 3.2Å; I125-K127 VanDerWaalsContact C-N 3.33Å; I125-K127 PolarHBondContact O-N 3.41Å; K127-L129 PolarHBondContact O-N 2.93Å; K127-K130 WeakPolarHBondContact O-CB 3.16Å; K127-K130 PolarHBondContact O-N 2.9Å; K127-E131 WeakPolarHBondContact CE-OE1 3.41Å; K127-E131 WeakPolarHBondContact O-CG 3.43Å; K127-E131 PolarHBondContact O-N 3.39Å
128	K	97.8	Very high	97.9	Very high	125 Å²	125	84.4 Å²	84.4	54%	0.543	42%	0.424	S	S	.	.	H	α-helix	trans	-59.9	-43.7	179.8	-178	-179.6	178.1	-179.9	0	112.4	E124 I125 E131	E124-K128 WeakPolarHBondContact O-CB 3.35Å; E124-K128 PolarHBondContact O-N 2.92Å; I125-K128 PolarHBondContact O-N 3.31Å; K128-E131 PolarHBondContact O-N 2.98Å
129	L	97.9	Very high	97.9	Very high	10 Å²	10	86.9 Å²	86.9	5%	0.052	43%	0.434	C	S	.	.	H	α-helix	trans	-67.2	-39.2	176.9	-71.8	172.4	0	0	0	111.2	P87 I125 K127 E131 Q132 N133 Q134 P136	P87-L129 HydrophobicContact CG-CD2 4.1Å; I125-L129 HydrophobicContact CG2-CD1 3.88Å; I125-L129 HydrophobicContact CG2-CG 4.48Å; I125-L129 WeakPolarHBondContact O-CB 3.38Å; I125-L129 WeakPolarHBondContact O-CG 3.32Å; I125-L129 PolarHBondContact O-N 2.76Å; K127-L129 PolarHBondContact O-N 2.93Å; L129-E131 VanDerWaalsContact C-N 3.32Å; L129-E131 PolarHBondContact O-N 2.93Å; L129-Q132 CarbonylContact O-C 3.16Å; L129-Q132 WeakPolarHBondContact O-CA 3.43Å; L129-Q132 WeakPolarHBondContact O-CB 3.43Å; L129-Q132 PolarHBondContact O-N 3.47Å; L129-N133 PolarHBondContact O-N 2.97Å; L129-Q134 CarbonylContact C-O 3.59Å; L129-Q134 HydrophobicContact CB-CB 4.16Å; L129-Q134 HydrophobicContact CD2-CB 4.15Å; L129-Q134 CarbonylContact O-C 3.58Å; L129-Q134 WeakPolarHBondContact O-CA 3.49Å; L129-Q134 PolarHBondContact O-N 3.18Å; L129-P136 HydrophobicContact CD1-CB 4.4Å; L129-P136 HydrophobicContact CD1-CG 3.81Å
130	K	97.9	Very high	98	Very high	159 Å²	159	90.1 Å²	90.1	69%	0.691	45%	0.449	S	S	*	.	H	α-helix	trans	-63.1	-37.2	177.5	-171.6	178.2	-179.1	-179.4	0	112.5	Q126 K127 Q132 N133 Q134	Q126-K130 VanDerWaalsContact O-CB 3.26Å; Q126-K130 WeakPolarHBondContact O-CB 3.37Å; Q126-K130 PolarHBondContact O-N 3.47Å; K127-K130 WeakPolarHBondContact O-CB 3.16Å; K127-K130 PolarHBondContact O-N 2.9Å; K130-Q132 PolarHBondContact O-N 2.83Å; K130-N133 PolarHBondContact O-N 2.78Å; K130-Q134 PolarHBondContact N-O 3.43Å
131	E	97.8	Very high	98	Very high	136 Å²	136	91 Å²	91	64%	0.636	46%	0.455	S	S	*	.	H	α-helix	trans	-58.9	-24.7	172.2	-71.5	168.7	-174.4	0	0	112.4	K127 K128 L129	K127-E131 WeakPolarHBondContact CE-OE1 3.41Å; K127-E131 WeakPolarHBondContact O-CG 3.43Å; K127-E131 PolarHBondContact O-N 3.39Å; K128-E131 PolarHBondContact O-N 2.98Å; L129-E131 VanDerWaalsContact C-N 3.32Å; L129-E131 PolarHBondContact O-N 2.93Å
132	Q	97.1	Very high	98.1	Very high	111 Å²	111	84.8 Å²	84.8	52%	0.519	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	12	176.4	-59.6	178.1	-11.1	0	0	113	L129 K130 Q134	L129-Q132 CarbonylContact O-C 3.16Å; L129-Q132 WeakPolarHBondContact O-CA 3.43Å; L129-Q132 WeakPolarHBondContact O-CB 3.43Å; L129-Q132 PolarHBondContact O-N 3.47Å; K130-Q132 PolarHBondContact O-N 2.83Å; Q132-Q134 HydrophobicContact CB-CG 4.5Å; Q132-Q134 PolarHBondContact O-N 3.08Å
133	N	97.7	Very high	98.1	Very high	161 Å²	161	84.9 Å²	84.9	86%	0.861	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	33.6	-172.9	-59.1	-61.8	0	0	0	113.8	L129 K130	L129-N133 PolarHBondContact O-N 2.97Å; K130-N133 PolarHBondContact O-N 2.78Å
134	Q	98	Very high	98.2	Very high	81 Å²	81	82.9 Å²	82.9	38%	0.379	41%	0.407	S	S	.	.			trans	-120.8	169.3	179.4	-68.8	-176.2	-15.6	0	0	111.5	P87 L129 K130 Q132	P87-Q134 HydrophobicContact CG-CB 4.18Å; L129-Q134 CarbonylContact C-O 3.59Å; L129-Q134 HydrophobicContact CB-CB 4.16Å; L129-Q134 HydrophobicContact CD2-CB 4.15Å; L129-Q134 CarbonylContact O-C 3.58Å; L129-Q134 WeakPolarHBondContact O-CA 3.49Å; L129-Q134 PolarHBondContact O-N 3.18Å; K130-Q134 PolarHBondContact N-O 3.43Å; Q132-Q134 HydrophobicContact CB-CG 4.5Å; Q132-Q134 PolarHBondContact O-N 3.08Å
135	A	98.1	Very high	98.2	Very high	62 Å²	62	75.8 Å²	75.8	51%	0.512	37%	0.374	S	S	.	.			trans	-140.8	157.5	173.5	0	0	0	0	0	110	P87	P87-A135 WeakPolarHBondContact CG-O 3.32Å
136	P	98.6	Very high	98.3	Very high	16 Å²	16	74.2 Å²	74.2	10%	0.104	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-55.3	147.6	171.3	-23.5	32.8	0	0	0	111.8	I84 R120 Q126 L129 T138	I84-P136 HydrophobicContact CG2-CB 4.27Å; I84-P136 CarbonylContact O-C 3.44Å; I84-P136 WeakPolarHBondContact O-CA 2.85Å; R120-P136 HydrophobicContact CG-CB 4.33Å; Q126-P136 HydrophobicContact CG-CG 4.01Å; L129-P136 HydrophobicContact CD1-CB 4.4Å; L129-P136 HydrophobicContact CD1-CG 3.81Å; P136-T138 PolarHBondContact O-N 2.79Å
137	I	98.7	Very high	98.3	Very high	4 Å²	4	77.8 Å²	77.8	2%	0.021	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-66.4	125.7	-179.9	-57.6	-57.9	0	0	0	110.3	F82 I84 P87 Y90 R120 Q141	F82-I137 HydrophobicContact CD2-CG1 4.48Å; F82-I137 HydrophobicContact CE2-CB 3.94Å; F82-I137 HydrophobicContact CE2-CG1 4.04Å; F82-I137 HydrophobicContact CE2-CG2 3.71Å; F82-I137 HydrophobicContact CZ-CG2 4.05Å; I84-I137 PolarHBondContact O-N 2.86Å; P87-I137 HydrophobicContact CB-CD1 4.2Å; P87-I137 HydrophobicContact CG-CD1 4.37Å; Y90-I137 HydrophobicContact CD1-CD1 4.1Å; Y90-I137 HydrophobicContact CD2-CD1 4.2Å; Y90-I137 HydrophobicContact CD2-CG1 4.25Å; Y90-I137 HydrophobicContact CD2-CG2 3.84Å; Y90-I137 HydrophobicContact CE2-CG2 4.12Å; Y90-I137 HydrophobicContact CG-CD1 3.81Å; Y90-I137 HydrophobicContact CG-CG1 4.13Å; R120-I137 PolarHBondContact NE-O 2.86Å; R120-I137 VanDerWaalsContact NE-O 3.17Å; R120-I137 PolarHBondContact NH2-O 3.02Å; I137-Q141 HydrophobicContact CG2-CB 3.86Å
138	T	98.6	Very high	98.3	Very high	66 Å²	66	76.6 Å²	76.6	41%	0.405	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-78.2	154.6	175.6	64.7	0	0	0	0	111	P136 Q140 Q141 G142	P136-T138 PolarHBondContact O-N 2.79Å; T138-Q140 PolarHBondContact O-N 2.68Å; T138-Q141 WeakPolarHBondContact O-CB 3.43Å; T138-Q141 PolarHBondContact O-N 3.38Å; T138-Q141 VanDerWaalsContact O-N 3.1Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.43Å; T138-Q141 PolarHBondContact OG1-N 3.36Å; T138-Q141 PolarHBondContact OG1-OE1 3Å; T138-G142 PolarHBondContact O-N 3.48Å; T138-G142 VanDerWaalsContact O-N 3.14Å
139	H	98.5	Very high	98.2	Very high	98 Å²	98	70.9 Å²	70.9	45%	0.454	35%	0.353	S	S	.	.	H	α-helix	trans	-56.3	-36.9	174.2	-176.9	-104.4	0	0	0	112.1	G142 L143 Y154 E156	H139-G142 PolarHBondContact O-N 3.33Å; H139-L143 WeakPolarHBondContact O-CG 3.16Å; H139-L143 PolarHBondContact O-N 3.01Å; H139-Y154 AromaticContact CD2-CE1 3.66Å; H139-E156 WeakPolarHBondContact CA-OE1 3.47Å; H139-E156 IonicContact CD2-OE1 3.44Å; H139-E156 PolarHBondContact CD2-OE1 3.46Å; H139-E156 IonicContact CG-OE1 3.91Å
140	Q	98.8	Very high	98.2	Very high	103 Å²	103	78.5 Å²	78.5	48%	0.481	39%	0.389	S	S	.	.	H	α-helix	trans	-66	-38.6	177.8	-171.7	59.2	56.9	0	0	112.8	T138 L143 N144	T138-Q140 PolarHBondContact O-N 2.68Å; Q140-L143 PolarHBondContact O-N 2.86Å; Q140-N144 PolarHBondContact NE2-OD1 3.29Å; Q140-N144 WeakPolarHBondContact O-CB 3.46Å; Q140-N144 PolarHBondContact O-N 2.9Å; Q140-N144 PolarHBondContact O-ND2 3.04Å; Q140-N144 PolarHBondContact O-OD1 3.24Å
141	Q	98.8	Very high	98.2	Very high	73 Å²	73	71.7 Å²	71.7	34%	0.341	36%	0.362	S	S	.	.	H	α-helix	trans	-62.9	-44.9	173.9	-76.8	165.8	-63.6	0	0	110.9	Y90 I137 T138 L143 N144 L145	Y90-Q141 HydrophobicContact CE2-CB 4.19Å; Y90-Q141 PolarHBondContact OH-O 2.9Å; I137-Q141 HydrophobicContact CG2-CB 3.86Å; T138-Q141 WeakPolarHBondContact O-CB 3.43Å; T138-Q141 PolarHBondContact O-N 3.38Å; T138-Q141 VanDerWaalsContact O-N 3.1Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.43Å; T138-Q141 PolarHBondContact OG1-N 3.36Å; T138-Q141 PolarHBondContact OG1-OE1 3Å; Q141-L143 PolarHBondContact O-N 2.93Å; Q141-N144 WeakPolarHBondContact O-CB 3.38Å; Q141-N144 PolarHBondContact O-N 2.69Å; Q141-L145 PolarHBondContact O-N 3.06Å
142	G	98.8	Very high	98.1	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-60.2	-43.8	175.6	0	0	0	0	0	113.6	T138 H139 N144 L145 A146 Y154	T138-G142 PolarHBondContact O-N 3.48Å; T138-G142 VanDerWaalsContact O-N 3.14Å; H139-G142 PolarHBondContact O-N 3.33Å; G142-N144 VanDerWaalsContact C-N 3.33Å; G142-N144 PolarHBondContact O-N 3.13Å; G142-L145 PolarHBondContact O-N 3.42Å; G142-A146 PolarHBondContact O-N 2.91Å; G142-Y154 VanDerWaalsContact CA-CZ 3.46Å
143	L	98.7	Very high	98.1	Very high	56 Å²	56	68.8 Å²	68.8	29%	0.293	35%	0.349	S	S	.	.	H	α-helix	trans	-59.7	-41.8	172.7	-74.3	174.2	0	0	0	112.4	H139 Q140 Q141 A146 K147 Y154	H139-L143 WeakPolarHBondContact O-CG 3.16Å; H139-L143 PolarHBondContact O-N 3.01Å; Q140-L143 PolarHBondContact O-N 2.86Å; Q141-L143 PolarHBondContact O-N 2.93Å; L143-A146 PolarHBondContact O-N 3.24Å; L143-K147 WeakPolarHBondContact O-CG 3.43Å; L143-K147 PolarHBondContact O-N 3.38Å; L143-K147 VanDerWaalsContact O-N 3.15Å; L143-Y154 HydrophobicContact CD2-CD1 4Å; L143-Y154 HydrophobicContact CG-CD1 4Å
144	N	98.7	Very high	98.2	Very high	67 Å²	67	61.9 Å²	61.9	36%	0.358	31%	0.31	S	S	.	.	H	α-helix	trans	-65.6	-43.9	178.7	-69.9	-14.6	0	0	0	111.1	Q140 Q141 G142 K147 Q148	Q140-N144 PolarHBondContact NE2-OD1 3.29Å; Q140-N144 WeakPolarHBondContact O-CB 3.46Å; Q140-N144 PolarHBondContact O-N 2.9Å; Q140-N144 PolarHBondContact O-ND2 3.04Å; Q140-N144 PolarHBondContact O-OD1 3.24Å; Q141-N144 WeakPolarHBondContact O-CB 3.38Å; Q141-N144 PolarHBondContact O-N 2.69Å; G142-N144 VanDerWaalsContact C-N 3.33Å; G142-N144 PolarHBondContact O-N 3.13Å; N144-K147 PolarHBondContact O-N 3.48Å; N144-Q148 WeakPolarHBondContact O-CG 3.48Å; N144-Q148 PolarHBondContact O-N 2.85Å
145	L	98.7	Very high	98.2	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.016	30%	0.299	C	S	.	.	H	α-helix	trans	-62.8	-44.1	176.6	180	59	0	0	0	111.5	Y90 V93 K94 L112 Q141 G142 K147 Q148 I149	Y90-L145 HydrophobicContact CD2-CD2 3.45Å; Y90-L145 VanDerWaalsContact CD2-CD2 3.45Å; Y90-L145 HydrophobicContact CE2-CB 3.6Å; Y90-L145 HydrophobicContact CE2-CD2 3.31Å; Y90-L145 HydrophobicContact CE2-CG 4.05Å; Y90-L145 HydrophobicContact CG-CD2 4.15Å; V93-L145 HydrophobicContact CB-CD2 3.88Å; V93-L145 HydrophobicContact CG1-CD1 4.38Å; V93-L145 HydrophobicContact CG1-CD2 3.93Å; V93-L145 HydrophobicContact CG1-CG 4.31Å; V93-L145 HydrophobicContact CG2-CD2 4.21Å; K94-L145 HydrophobicContact CB-CD1 4.33Å; L112-L145 HydrophobicContact CD1-CD2 4.32Å; L112-L145 HydrophobicContact CD2-CB 3.89Å; L112-L145 HydrophobicContact CD2-CD2 3.84Å; L112-L145 HydrophobicContact CD2-CG 3.72Å; Q141-L145 PolarHBondContact O-N 3.06Å; G142-L145 PolarHBondContact O-N 3.42Å; L145-K147 VanDerWaalsContact C-N 3.28Å; L145-K147 PolarHBondContact O-N 2.87Å; L145-Q148 WeakPolarHBondContact O-CB 3.46Å; L145-Q148 PolarHBondContact O-N 3.45Å; L145-I149 HydrophobicContact CD1-CG2 3.98Å; L145-I149 WeakPolarHBondContact O-CG1 3.38Å; L145-I149 PolarHBondContact O-N 2.98Å
146	A	98.6	Very high	98.2	Very high	7 Å²	7	58.2 Å²	58.2	6%	0.058	28%	0.283	C	S	.	.	H	α-helix	trans	-57.8	-41.2	176.7	0	0	0	0	0	112.2	L112 G142 L143 Q150 A151	L112-A146 HydrophobicContact CB-CB 4.28Å; L112-A146 HydrophobicContact CD2-CB 3.88Å; G142-A146 PolarHBondContact O-N 2.91Å; L143-A146 PolarHBondContact O-N 3.24Å; A146-Q150 PolarHBondContact O-N 3.2Å; A146-A151 HydrophobicContact CB-CB 4Å; A146-A151 PolarHBondContact O-N 3Å
147	K	98.2	Very high	98.2	Very high	157 Å²	157	57.5 Å²	57.5	68%	0.683	28%	0.279	S	S	*	.	H	α-helix	trans	-63.2	-41.8	173	-70.5	175.8	-176.5	178.5	0	112.3	L143 N144 L145 Q150	L143-K147 WeakPolarHBondContact O-CG 3.43Å; L143-K147 PolarHBondContact O-N 3.38Å; L143-K147 VanDerWaalsContact O-N 3.15Å; N144-K147 PolarHBondContact O-N 3.48Å; L145-K147 VanDerWaalsContact C-N 3.28Å; L145-K147 PolarHBondContact O-N 2.87Å; K147-Q150 PolarHBondContact O-N 2.65Å
148	Q	97.6	Very high	98.2	Very high	113 Å²	113	57.3 Å²	57.3	53%	0.528	28%	0.278	S	S	.	.	H	α-helix	trans	-64	-40.9	-179.7	-72.5	177.1	15.5	0	0	112.5	N144 L145 Q150	N144-Q148 WeakPolarHBondContact O-CG 3.48Å; N144-Q148 PolarHBondContact O-N 2.85Å; L145-Q148 WeakPolarHBondContact O-CB 3.46Å; L145-Q148 PolarHBondContact O-N 3.45Å; Q148-Q150 VanDerWaalsContact C-N 3.31Å
149	I	97.4	Very high	98.2	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	6.5	179.2	72.8	170.7	0	0	0	113.3	V93 H98 I110 L112 L145 A151	V93-I149 HydrophobicContact CG1-CD1 3.86Å; V93-I149 HydrophobicContact CG1-CG2 4.45Å; H98-I149 HydrophobicContact CB-CB 4.26Å; H98-I149 HydrophobicContact CB-CG2 4.03Å; H98-I149 PolarHBondContact NE2-O 2.85Å; I110-I149 HydrophobicContact CG2-CD1 4.48Å; L112-I149 HydrophobicContact CB-CD1 4.34Å; L112-I149 HydrophobicContact CD1-CD1 4.15Å; L112-I149 HydrophobicContact CD2-CD1 4.48Å; L145-I149 HydrophobicContact CD1-CG2 3.98Å; L145-I149 WeakPolarHBondContact O-CG1 3.38Å; L145-I149 PolarHBondContact O-N 2.98Å; I149-A151 HydrophobicContact CD1-CB 4.08Å; I149-A151 HydrophobicContact CG1-CB 3.88Å; I149-A151 PolarHBondContact O-N 3.27Å
150	Q	96.6	Very high	98.1	Very high	169 Å²	169	54.5 Å²	54.5	79%	0.79	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	34.7	-177.2	-55.5	-179	-19.3	0	0	113.5	A146 K147 Q148	A146-Q150 PolarHBondContact O-N 3.2Å; K147-Q150 PolarHBondContact O-N 2.65Å; Q148-Q150 VanDerWaalsContact C-N 3.31Å
151	A	97.8	Very high	98	Very high	16 Å²	16	53.7 Å²	53.7	13%	0.132	26%	0.264	C	S	.	.			trans	-63.7	140.8	173.8	0	0	0	0	0	109.8	I110 L112 A146 I149 R153	I110-A151 HydrophobicContact CG2-CB 4.42Å; I110-A151 CarbonylContact O-C 3.56Å; I110-A151 WeakPolarHBondContact O-CA 3.35Å; L112-A151 HydrophobicContact CB-CB 4.05Å; A146-A151 HydrophobicContact CB-CB 4Å; A146-A151 PolarHBondContact O-N 3Å; I149-A151 HydrophobicContact CD1-CB 4.08Å; I149-A151 HydrophobicContact CG1-CB 3.88Å; I149-A151 PolarHBondContact O-N 3.27Å; A151-R153 PolarHBondContact O-N 3.38Å
152	V	96.7	Very high	97.9	Very high	74 Å²	74	53.7 Å²	53.7	45%	0.448	26%	0.264	S	S	.	.	S	Bend	trans	-62	-35.6	178.2	179.1	0	0	0	0	110.7	P109 I110	P109-V152 HydrophobicContact CB-CG2 3.7Å; I110-V152 PolarHBondContact O-N 3.48Å
153	R	97.1	Very high	97.9	Very high	113 Å²	113	57.8 Å²	57.8	43%	0.426	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	149.8	178.3	-167.9	164	-78.5	-160.8	6.1	111.6	L112 A151 L155 E171	L112-R153 PolarHBondContact N-O 3.26Å; A151-R153 PolarHBondContact O-N 3.38Å; R153-L155 HydrophobicContact CG-CD2 4.22Å; R153-L155 HydrophobicContact CG-CG 4.05Å; R153-E171 IonicContact CZ-OE1 3.72Å; R153-E171 IonicContact CZ-OE2 3.19Å; R153-E171 IonicContact NE-OE2 3.41Å; R153-E171 IonicContact NH1-OE1 3.26Å; R153-E171 PolarHBondContact NH1-OE1 2.77Å; R153-E171 IonicContact NH1-OE2 2.7Å; R153-E171 PolarHBondContact NH1-OE2 3.1Å; R153-E171 IonicContact NH2-OE2 2.82Å
154	Y	98.8	Very high	97.9	Very high	15 Å²	15	56.2 Å²	56.2	6%	0.059	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.2	162.7	179.5	-126.4	0	0	0	109.7	F82 L112 H139 G142 L143 E156	F82-Y154 AromaticContact CE1-CE2 3.79Å; F82-Y154 HydrophobicContact CE1-CE2 3.79Å; F82-Y154 AromaticContact CZ-CE2 3.88Å; F82-Y154 HydrophobicContact CZ-CE2 3.88Å; L112-Y154 HydrophobicContact CB-CD2 4.1Å; L112-Y154 HydrophobicContact CD2-CD2 3.85Å; L112-Y154 HydrophobicContact CD2-CE2 4.3Å; L112-Y154 HydrophobicContact CG-CD2 3.83Å; L112-Y154 HydrophobicContact CG-CE2 4.25Å; L112-Y154 WeakPolarHBondContact O-CA 3.3Å; L112-Y154 WeakPolarHBondContact O-CD2 3.45Å; H139-Y154 AromaticContact CD2-CE1 3.66Å; G142-Y154 VanDerWaalsContact CA-CZ 3.46Å; L143-Y154 HydrophobicContact CD2-CD1 4Å; L143-Y154 HydrophobicContact CG-CD1 4Å; Y154-E156 HydrophobicContact CE1-CG 3.82Å; Y154-E156 HydrophobicContact CE2-CG 4.29Å; Y154-E156 VanDerWaalsContact OH-CG 3.24Å; Y154-E156 WeakPolarHBondContact OH-CG 3.38Å; Y154-E156 PolarHBondContact OH-OE1 2.81Å
155	L	98.8	Very high	97.9	Very high	28 Å²	28	53.1 Å²	53.1	15%	0.147	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	158.3	174.4	-65	164.2	0	0	0	109.6	L111 L112 V113 G114 R153 V168 E171	L111-L155 HydrophobicContact CD2-CD1 4.05Å; L112-L155 PolarHBondContact O-N 2.87Å; V113-L155 CarbonylContact C-O 3.59Å; V113-L155 VanDerWaalsContact CA-O 3.31Å; V113-L155 WeakPolarHBondContact CA-O 3.32Å; V113-L155 HydrophobicContact CG2-CB 4.48Å; G114-L155 PolarHBondContact N-O 2.91Å; R153-L155 HydrophobicContact CG-CD2 4.22Å; R153-L155 HydrophobicContact CG-CG 4.05Å; L155-V168 HydrophobicContact CB-CG2 4.02Å; L155-V168 HydrophobicContact CD1-CB 4.42Å; L155-V168 HydrophobicContact CD1-CG2 4.08Å; L155-E171 HydrophobicContact CD1-CB 3.83Å; L155-E171 HydrophobicContact CD1-CG 3.94Å
156	E	98.8	Very high	97.8	Very high	38 Å²	38	60.3 Å²	60.3	18%	0.178	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.8	171.2	-63.3	-177	179.3	0	0	109.7	I84 G114 R120 H139 Y154	I84-E156 HydrophobicContact CD1-CB 4.19Å; I84-E156 HydrophobicContact CD1-CG 4.02Å; G114-E156 CarbonylContact O-C 3.59Å; G114-E156 WeakPolarHBondContact O-CA 3.5Å; R120-E156 IonicContact CZ-OE1 3.29Å; R120-E156 IonicContact CZ-OE2 3.66Å; R120-E156 IonicContact NH1-OE1 2.68Å; R120-E156 IonicContact NH1-OE2 3.83Å; R120-E156 PolarHBondContact NH1-OE2 3.29Å; R120-E156 IonicContact NH2-OE1 3.51Å; R120-E156 PolarHBondContact NH2-OE1 2.97Å; R120-E156 IonicContact NH2-OE2 2.72Å; R120-E156 PolarHBondContact NH2-OE2 3.3Å; H139-E156 WeakPolarHBondContact CA-OE1 3.47Å; H139-E156 IonicContact CD2-OE1 3.44Å; H139-E156 PolarHBondContact CD2-OE1 3.46Å; H139-E156 IonicContact CG-OE1 3.91Å; Y154-E156 HydrophobicContact CE1-CG 3.82Å; Y154-E156 HydrophobicContact CE2-CG 4.29Å; Y154-E156 VanDerWaalsContact OH-CG 3.24Å; Y154-E156 WeakPolarHBondContact OH-CG 3.38Å; Y154-E156 PolarHBondContact OH-OE1 2.81Å
157	C	98.8	Very high	97.7	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.007	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	153.9	178.9	64.8	0	0	0	0	112.4	G114 T115 K116 S117 D163 I165 V168	G114-C157 PolarHBondContact O-N 2.68Å; T115-C157 CarbonylContact C-O 3.57Å; T115-C157 WeakPolarHBondContact CA-O 3.48Å; K116-C157 PolarHBondContact N-O 3.1Å; S117-C157 PolarHBondContact N-O 3.44Å; S117-C157 PolarHBondContact OG-O 2.91Å; C157-D163 CarbonylContact C-O 3.38Å; C157-D163 WeakPolarHBondContact CA-O 3.4Å; C157-D163 VanDerWaalsContact CB-O 3.23Å; C157-D163 WeakPolarHBondContact CB-O 3.33Å; C157-I165 HydrophobicContact CB-CG1 4.33Å; C157-V168 HydrophobicContact CB-CG2 4.31Å
158	S	98.6	Very high	97.7	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-116	110.5	165.6	177.5	0	0	0	0	109.1	S117 D118 L160 N161 Q162 D163	S117-S158 PolarHBondContact OG-N 3.36Å; D118-S158 VanDerWaalsContact CG-OG 3.25Å; D118-S158 WeakPolarHBondContact OD1-CB 3.35Å; D118-S158 PolarHBondContact OD1-OG 3.43Å; S158-L160 PolarHBondContact O-N 2.68Å; S158-L160 PolarHBondContact OG-N 2.55Å; S158-N161 PolarHBondContact O-N 2.8Å; S158-N161 PolarHBondContact OG-N 3.38Å; S158-N161 VanDerWaalsContact OG-N 3.09Å; S158-Q162 PolarHBondContact O-N 2.72Å; S158-D163 PolarHBondContact N-O 3.35Å; S158-D163 PolarHBondContact O-N 3.14Å
159	A	97.8	Very high	97.7	Very high	12 Å²	12	52 Å²	52	10%	0.099	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-37.8	171.1	0	0	0	0	0	111.4	C18 S22 F28 I165	C18-A159 HydrophobicContact CB-CB 3.82Å; S22-A159 PolarHBondContact OG-O 3.12Å; F28-A159 VanDerWaalsContact CD2-C 3.49Å; F28-A159 HydrophobicContact CD2-CB 3.88Å; F28-A159 HydrophobicContact CE2-CB 3.82Å; A159-I165 HydrophobicContact CB-CD1 4.47Å
160	L	96.6	Very high	97.7	Very high	94 Å²	94	52.8 Å²	52.8	49%	0.492	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-46.6	-178.5	-179.6	62.7	0	0	0	111.7	F28 S158	F28-L160 HydrophobicContact CD1-CD1 4.1Å; F28-L160 HydrophobicContact CD2-CB 4.26Å; F28-L160 HydrophobicContact CD2-CD1 4.47Å; F28-L160 HydrophobicContact CE1-CD1 4.38Å; F28-L160 HydrophobicContact CE2-CB 4.28Å; F28-L160 HydrophobicContact CG-CD1 4.14Å; S158-L160 PolarHBondContact O-N 2.68Å; S158-L160 PolarHBondContact OG-N 2.55Å
161	N	97.3	Very high	97.7	Very high	85 Å²	85	46.1 Å²	46.1	46%	0.455	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-2.2	-176.1	-62.8	-9.2	0	0	0	113.7	S158 D163	S158-N161 PolarHBondContact O-N 2.8Å; S158-N161 PolarHBondContact OG-N 3.38Å; S158-N161 VanDerWaalsContact OG-N 3.09Å; N161-D163 HydrophobicContact CB-CB 4.39Å; N161-D163 WeakPolarHBondContact CB-OD2 3.2Å; N161-D163 PolarHBondContact O-N 3.17Å
162	Q	96.8	Very high	97.7	Very high	73 Å²	73	45.4 Å²	45.4	34%	0.341	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	20.9	-170.8	-59	-70.2	-26.7	0	0	114	G26 S158	G26-Q162 PolarHBondContact O-NE2 2.65Å; S158-Q162 PolarHBondContact O-N 2.72Å
163	D	98.3	Very high	97.7	Very high	87 Å²	87	41.9 Å²	41.9	47%	0.465	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-87.9	128.3	-176.3	-65.2	-30.4	0	0	0	111.2	C157 S158 N161 I165	C157-D163 CarbonylContact C-O 3.38Å; C157-D163 WeakPolarHBondContact CA-O 3.4Å; C157-D163 VanDerWaalsContact CB-O 3.23Å; C157-D163 WeakPolarHBondContact CB-O 3.33Å; S158-D163 PolarHBondContact N-O 3.35Å; S158-D163 PolarHBondContact O-N 3.14Å; N161-D163 HydrophobicContact CB-CB 4.39Å; N161-D163 WeakPolarHBondContact CB-OD2 3.2Å; N161-D163 PolarHBondContact O-N 3.17Å; D163-I165 PolarHBondContact O-N 3.17Å; D163-I165 VanDerWaalsContact O-N 3.14Å
164	G	97.9	Very high	97.7	Very high	22 Å²	22	39.8 Å²	39.8	23%	0.227	20%	0.201	C	C	.	.	S	Bend	trans	74.5	-3.7	171.5	0	0	0	0	0	115.7	E167 V168	G164-E167 WeakPolarHBondContact CA-OE2 3.16Å; G164-E167 PolarHBondContact O-N 3.38Å; G164-V168 WeakPolarHBondContact O-CG2 3.08Å; G164-V168 PolarHBondContact O-N 2.96Å; G164-V168 VanDerWaalsContact O-N 3.13Å
165	I	97.8	Very high	97.5	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-67.3	-44.4	-173.3	-60.9	175.4	0	0	0	111.7	L19 Y23 C157 A159 D163 E167 V168 F169	L19-I165 HydrophobicContact CD1-CB 4.18Å; L19-I165 HydrophobicContact CD1-CG1 3.97Å; L19-I165 HydrophobicContact CD1-CG2 3.73Å; Y23-I165 HydrophobicContact CD2-CG2 3.98Å; Y23-I165 HydrophobicContact CG-CG2 4.2Å; C157-I165 HydrophobicContact CB-CG1 4.33Å; A159-I165 HydrophobicContact CB-CD1 4.47Å; D163-I165 PolarHBondContact O-N 3.17Å; D163-I165 VanDerWaalsContact O-N 3.14Å; I165-E167 VanDerWaalsContact C-N 3.29Å; I165-E167 PolarHBondContact O-N 2.86Å; I165-V168 PolarHBondContact O-N 2.83Å; I165-F169 HydrophobicContact CG2-CD2 4.32Å; I165-F169 HydrophobicContact CG2-CE2 4.17Å; I165-F169 VanDerWaalsContact O-CD2 3.29Å; I165-F169 WeakPolarHBondContact O-CD2 3.28Å; I165-F169 PolarHBondContact O-N 3.35Å
166	K	96.7	Very high	97.3	Very high	154 Å²	154	42.5 Å²	42.5	67%	0.67	21%	0.211	S	C	*	.	H	α-helix	trans	-66.8	-37.5	-178.8	-69.8	-179.8	180	174.4	0	110.7	F169 A170	K166-F169 PolarHBondContact O-N 2.96Å; K166-A170 VanDerWaalsContact O-CB 3.31Å; K166-A170 WeakPolarHBondContact O-CB 3.45Å; K166-A170 PolarHBondContact O-N 2.84Å
167	E	97.9	Very high	96.9	Very high	104 Å²	104	41.9 Å²	41.9	49%	0.486	21%	0.209	S	C	.	.	H	α-helix	trans	-63.3	-41.9	177.9	-65.2	69.3	-155.9	0	0	111	G164 I165 F169 A170 E171	G164-E167 WeakPolarHBondContact CA-OE2 3.16Å; G164-E167 PolarHBondContact O-N 3.38Å; I165-E167 VanDerWaalsContact C-N 3.29Å; I165-E167 PolarHBondContact O-N 2.86Å; E167-F169 VanDerWaalsContact C-N 3.35Å; E167-F169 PolarHBondContact O-N 2.91Å; E167-A170 PolarHBondContact O-N 3.42Å; E167-E171 WeakPolarHBondContact O-CB 3.12Å; E167-E171 VanDerWaalsContact O-CG 3.29Å; E167-E171 WeakPolarHBondContact O-CG 3.49Å; E167-E171 PolarHBondContact O-N 2.84Å
168	V	98.4	Very high	96.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-52.7	-51.7	174.4	168	0	0	0	0	111.6	L19 V79 V113 L155 C157 G164 I165 A172	L19-V168 HydrophobicContact CD2-CG1 4.41Å; V79-V168 HydrophobicContact CG1-CG1 4.48Å; V113-V168 HydrophobicContact CG1-CG2 4.02Å; V113-V168 HydrophobicContact CG2-CG1 3.91Å; V113-V168 HydrophobicContact CG2-CG2 4.04Å; L155-V168 HydrophobicContact CB-CG2 4.02Å; L155-V168 HydrophobicContact CD1-CB 4.42Å; L155-V168 HydrophobicContact CD1-CG2 4.08Å; C157-V168 HydrophobicContact CB-CG2 4.31Å; G164-V168 WeakPolarHBondContact O-CG2 3.08Å; G164-V168 PolarHBondContact O-N 2.96Å; G164-V168 VanDerWaalsContact O-N 3.13Å; I165-V168 PolarHBondContact O-N 2.83Å; V168-A172 WeakPolarHBondContact O-CB 3.43Å; V168-A172 PolarHBondContact O-N 2.84Å
169	F	97.6	Very high	95.5	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-80	-29.3	-175	-66.5	-66.2	0	0	0	113.4	L19 L20 Y23 L53 L55 I165 K166 E167 A172 V173	L19-F169 HydrophobicContact CD1-CE2 3.92Å; L19-F169 HydrophobicContact CD1-CZ 4.4Å; L19-F169 HydrophobicContact CD2-CE2 4.48Å; L19-F169 HydrophobicContact CD2-CZ 4.17Å; L19-F169 HydrophobicContact CG-CE2 3.9Å; L19-F169 HydrophobicContact CG-CZ 3.89Å; L20-F169 HydrophobicContact CD2-CE1 4.16Å; L20-F169 HydrophobicContact CD2-CZ 3.87Å; L20-F169 HydrophobicContact CG-CZ 4.5Å; Y23-F169 AromaticContact CD1-CD2 3.66Å; Y23-F169 HydrophobicContact CD1-CD2 3.66Å; Y23-F169 AromaticContact CD1-CE2 3.95Å; Y23-F169 HydrophobicContact CD1-CE2 3.95Å; Y23-F169 HydrophobicContact CD1-CG 4.09Å; Y23-F169 HydrophobicContact CD2-CB 4.33Å; Y23-F169 AromaticContact CD2-CD2 3.42Å; Y23-F169 HydrophobicContact CD2-CD2 3.42Å; Y23-F169 VanDerWaalsContact CD2-CD2 3.42Å; Y23-F169 HydrophobicContact CD2-CE2 4.12Å; Y23-F169 HydrophobicContact CD2-CG 4.2Å; Y23-F169 HydrophobicContact CE1-CB 4.15Å; Y23-F169 HydrophobicContact CE1-CD2 4.05Å; Y23-F169 HydrophobicContact CE1-CG 4.06Å; Y23-F169 HydrophobicContact CE2-CB 3.83Å; Y23-F169 AromaticContact CE2-CD2 3.82Å; Y23-F169 HydrophobicContact CE2-CD2 3.82Å; Y23-F169 HydrophobicContact CE2-CG 4.16Å; Y23-F169 AromaticContact CG-CD2 3.31Å; Y23-F169 HydrophobicContact CG-CD2 3.31Å; Y23-F169 AromaticContact CG-CE2 3.6Å; Y23-F169 HydrophobicContact CG-CE2 3.6Å; Y23-F169 HydrophobicContact CG-CG 4.15Å; L53-F169 HydrophobicContact CD2-CB 3.81Å; L53-F169 HydrophobicContact CD2-CD1 4.06Å; L53-F169 HydrophobicContact CD2-CG 4.22Å; L55-F169 HydrophobicContact CD2-CD1 3.57Å; L55-F169 HydrophobicContact CD2-CE1 3.41Å; L55-F169 VanDerWaalsContact CD2-CE1 3.41Å; L55-F169 HydrophobicContact CD2-CZ 4.25Å; I165-F169 HydrophobicContact CG2-CD2 4.32Å; I165-F169 HydrophobicContact CG2-CE2 4.17Å; I165-F169 VanDerWaalsContact O-CD2 3.29Å; I165-F169 WeakPolarHBondContact O-CD2 3.28Å; I165-F169 PolarHBondContact O-N 3.35Å; K166-F169 PolarHBondContact O-N 2.96Å; E167-F169 VanDerWaalsContact C-N 3.35Å; E167-F169 PolarHBondContact O-N 2.91Å; F169-A172 PolarHBondContact O-N 2.9Å; F169-V173 WeakPolarHBondContact O-CG2 3.49Å; F169-V173 PolarHBondContact O-N 2.86Å; F169-V173 VanDerWaalsContact O-N 3.1Å
170	A	97	Very high	94.1	Very high	22 Å²	22	56.7 Å²	56.7	18%	0.182	29%	0.287	C	S	.	.	H	α-helix	trans	-63.5	-44.4	170	0	0	0	0	0	111.5	V46 K166 E167 V173 R174	V46-A170 HydrophobicContact CG2-CB 4.31Å; K166-A170 VanDerWaalsContact O-CB 3.31Å; K166-A170 WeakPolarHBondContact O-CB 3.45Å; K166-A170 PolarHBondContact O-N 2.84Å; E167-A170 PolarHBondContact O-N 3.42Å; A170-V173 PolarHBondContact O-N 2.93Å; A170-R174 WeakPolarHBondContact O-CB 3.2Å; A170-R174 PolarHBondContact O-N 3.3Å
171	E	97.5	Very high	92.3	Very high	29 Å²	29	57.6 Å²	57.6	14%	0.136	30%	0.298	C	S	.	.	H	α-helix	trans	-69.4	-35.2	176.5	-69.2	-61.9	162	0	0	112.3	L111 R153 L155 E167 R174 S175	L111-E171 HydrophobicContact CD2-CB 3.84Å; R153-E171 IonicContact CZ-OE1 3.72Å; R153-E171 IonicContact CZ-OE2 3.19Å; R153-E171 IonicContact NE-OE2 3.41Å; R153-E171 IonicContact NH1-OE1 3.26Å; R153-E171 PolarHBondContact NH1-OE1 2.77Å; R153-E171 IonicContact NH1-OE2 2.7Å; R153-E171 PolarHBondContact NH1-OE2 3.1Å; R153-E171 IonicContact NH2-OE2 2.82Å; L155-E171 HydrophobicContact CD1-CB 3.83Å; L155-E171 HydrophobicContact CD1-CG 3.94Å; E167-E171 WeakPolarHBondContact O-CB 3.12Å; E167-E171 VanDerWaalsContact O-CG 3.29Å; E167-E171 WeakPolarHBondContact O-CG 3.49Å; E167-E171 PolarHBondContact O-N 2.84Å; E171-R174 PolarHBondContact O-N 3.24Å; E171-R174 IonicContact OE1-CZ 3.87Å; E171-R174 IonicContact OE1-NH1 3.36Å; E171-R174 PolarHBondContact OE1-NH1 3.34Å; E171-R174 IonicContact OE2-NH1 3.72Å; E171-R174 PolarHBondContact OE2-NH1 2.67Å; E171-S175 WeakPolarHBondContact O-CB 3.47Å; E171-S175 PolarHBondContact O-N 2.79Å
172	A	97.1	Very high	90.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-58.2	-50.3	174	0	0	0	0	0	110.8	V77 V79 L111 V168 F169 S175	V77-A172 HydrophobicContact CG1-CB 4Å; V77-A172 HydrophobicContact CG2-CB 4.16Å; V79-A172 HydrophobicContact CG2-CB 4.4Å; L111-A172 HydrophobicContact CD2-CB 4.04Å; V168-A172 WeakPolarHBondContact O-CB 3.43Å; V168-A172 PolarHBondContact O-N 2.84Å; F169-A172 PolarHBondContact O-N 2.9Å; A172-S175 PolarHBondContact O-N 2.72Å; A172-S175 PolarHBondContact O-OG 2.8Å
173	V	96.8	Very high	88.1	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.3	-47.6	174.6	169.3	0	0	0	0	111.4	V4 V44 V46 I51 L53 F169 A170 S175 Y176 L177	V4-V173 HydrophobicContact CB-CG2 4.43Å; V4-V173 HydrophobicContact CG1-CG2 4.31Å; V44-V173 HydrophobicContact CG1-CG2 3.88Å; V46-V173 HydrophobicContact CB-CG1 3.9Å; V46-V173 HydrophobicContact CG1-CG1 4.21Å; V46-V173 HydrophobicContact CG2-CB 3.99Å; V46-V173 HydrophobicContact CG2-CG1 3.77Å; I51-V173 HydrophobicContact CB-CG1 4.3Å; I51-V173 HydrophobicContact CG1-CG1 3.89Å; I51-V173 HydrophobicContact CG2-CG1 4.15Å; I51-V173 HydrophobicContact CG2-CG2 4.37Å; L53-V173 HydrophobicContact CD1-CG2 3.9Å; L53-V173 HydrophobicContact CD2-CG2 4.21Å; L53-V173 HydrophobicContact CG-CG2 4.49Å; F169-V173 WeakPolarHBondContact O-CG2 3.49Å; F169-V173 PolarHBondContact O-N 2.86Å; F169-V173 VanDerWaalsContact O-N 3.1Å; A170-V173 PolarHBondContact O-N 2.93Å; V173-S175 VanDerWaalsContact C-N 3.29Å; V173-S175 PolarHBondContact O-N 3.3Å; V173-Y176 PolarHBondContact O-N 3.28Å; V173-Y176 VanDerWaalsContact O-N 3.17Å; V173-L177 HydrophobicContact CG1-CD1 3.63Å; V173-L177 HydrophobicContact CG1-CG 4.06Å; V173-L177 WeakPolarHBondContact O-CG 3.34Å; V173-L177 PolarHBondContact O-N 3.11Å
174	R	96.1	Very high	85.5	Confident	70 Å²	70	63.3 Å²	63.3	26%	0.264	35%	0.348	S	S	.	.	H	α-helix	trans	-59.6	-39.6	-179.1	-171.6	176.6	-67.2	114.2	-0.8	112.4	V46 D47 A170 E171 Y176 L177 N178	V46-R174 HydrophobicContact CG1-CB 4.13Å; D47-R174 IonicContact OD1-CZ 3.38Å; D47-R174 IonicContact OD1-NE 2.8Å; D47-R174 PolarHBondContact OD1-NE 3.18Å; D47-R174 IonicContact OD1-NH2 3.12Å; D47-R174 PolarHBondContact OD1-NH2 3.15Å; D47-R174 IonicContact OD2-NE 2.86Å; D47-R174 PolarHBondContact OD2-NE 3.5Å; D47-R174 VanDerWaalsContact OD2-NE 3.14Å; A170-R174 WeakPolarHBondContact O-CB 3.2Å; A170-R174 PolarHBondContact O-N 3.3Å; E171-R174 PolarHBondContact O-N 3.24Å; E171-R174 IonicContact OE1-CZ 3.87Å; E171-R174 IonicContact OE1-NH1 3.36Å; E171-R174 PolarHBondContact OE1-NH1 3.34Å; E171-R174 IonicContact OE2-NH1 3.72Å; E171-R174 PolarHBondContact OE2-NH1 2.67Å; R174-Y176 PolarHBondContact O-N 3.14Å; R174-L177 PolarHBondContact O-N 3.17Å; R174-N178 PolarHBondContact O-N 2.92Å
175	S	94.9	Very high	83.1	Confident	10 Å²	10	70.9 Å²	70.9	7%	0.07	38%	0.375	C	S	.	.	H	α-helix	trans	-60.8	-32	179.4	76.1	0	0	0	0	113.5	V77 E171 A172 V173	V77-S175 WeakPolarHBondContact CG2-OG 3.38Å; E171-S175 WeakPolarHBondContact O-CB 3.47Å; E171-S175 PolarHBondContact O-N 2.79Å; A172-S175 PolarHBondContact O-N 2.72Å; A172-S175 PolarHBondContact O-OG 2.8Å; V173-S175 VanDerWaalsContact C-N 3.29Å; V173-S175 PolarHBondContact O-N 3.3Å
176	Y	93.8	Very high	80.6	Confident	89 Å²	89	81.8 Å²	81.8	35%	0.349	42%	0.416	S	S	.	.	H	α-helix	trans	-83.7	-40.8	176.4	173.6	-109	0	0	0	112	V4 N76 V173 R174	V4-Y176 HydrophobicContact CG1-CD1 4.47Å; V4-Y176 HydrophobicContact CG2-CD1 3.77Å; V4-Y176 HydrophobicContact CG2-CE1 4.21Å; N76-Y176 HydrophobicContact CB-CD1 4.05Å; N76-Y176 HydrophobicContact CB-CD2 3.64Å; N76-Y176 HydrophobicContact CB-CE1 4.2Å; N76-Y176 HydrophobicContact CB-CE2 3.83Å; N76-Y176 HydrophobicContact CB-CG 3.76Å; N76-Y176 WeakPolarHBondContact ND2-CE2 3.49Å; N76-Y176 VanDerWaalsContact ND2-CZ 3.29Å; N76-Y176 PolarHBondContact ND2-OH 3.33Å; N76-Y176 WeakPolarHBondContact O-CD2 3.27Å; V173-Y176 PolarHBondContact O-N 3.28Å; V173-Y176 VanDerWaalsContact O-N 3.17Å; R174-Y176 PolarHBondContact O-N 3.14Å
177	L	91.8	Very high	78.2	Confident	25 Å²	25	81.9 Å²	81.9	13%	0.131	42%	0.419	C	S	.	.	H	α-helix	trans	-71.5	-35	-178.3	-66.1	-175.5	0	0	0	113.3	Q2 I51 V173 R174 P179	Q2-L177 VanDerWaalsContact CD-CD2 3.4Å; Q2-L177 VanDerWaalsContact OE1-CD2 3.29Å; I51-L177 HydrophobicContact CD1-CD1 3.94Å; I51-L177 HydrophobicContact CG1-CD1 4.13Å; V173-L177 HydrophobicContact CG1-CD1 3.63Å; V173-L177 HydrophobicContact CG1-CG 4.06Å; V173-L177 WeakPolarHBondContact O-CG 3.34Å; V173-L177 PolarHBondContact O-N 3.11Å; R174-L177 PolarHBondContact O-N 3.17Å; L177-P179 VanDerWaalsContact C-CD 3.48Å; L177-P179 WeakPolarHBondContact O-CD 3.32Å
178	N	88.2	Confident	75.7	Confident	75 Å²	75	82.2 Å²	82.2	40%	0.401	43%	0.431	S	S	.	.	S	Bend	trans	-126.4	69	-175.7	-60.5	-40.4	0	0	0	109.5	D47 R174 Q180	D47-N178 PolarHBondContact OD2-ND2 2.89Å; R174-N178 PolarHBondContact O-N 2.92Å; N178-Q180 PolarHBondContact O-N 3.15Å
179	P	78.5	Confident	73.6	Confident	98 Å²	98	90.7 Å²	90.7	64%	0.636	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-62.6	126.2	-178.8	25.8	-32.8	0	0	0	109.8	L177	L177-P179 VanDerWaalsContact C-CD 3.48Å; L177-P179 WeakPolarHBondContact O-CD 3.32Å
180	Q	69.1	Low	71.2	Confident	151 Å²	151	98.6 Å²	98.6	71%	0.706	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-65.5	136.9	171.8	-65.9	-67.1	-26.9	0	0	108.7	N178 T182	N178-Q180 PolarHBondContact O-N 3.15Å; Q180-T182 PolarHBondContact O-N 3.37Å; Q180-T182 VanDerWaalsContact O-N 3.11Å
181	P	58.1	Low	69.2	Low	113 Å²	113	108.8 Å²	108.8	73%	0.734	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-59.1	120.1	176.4	21.1	-29.2	0	0	0	109.5	V183	P181-V183 PolarHBondContact O-N 3.18Å
182	T	56.2	Low	67.8	Low	134 Å²	134	112.8 Å²	112.8	82%	0.822	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-67.2	124.4	175.4	48.5	0	0	0	0	108.6	Q180 S184	Q180-T182 PolarHBondContact O-N 3.37Å; Q180-T182 VanDerWaalsContact O-N 3.11Å; T182-S184 VanDerWaalsContact C-N 3.28Å; T182-S184 PolarHBondContact O-N 2.83Å
183	V	49.9	Very low	66.2	Low	139 Å²	139	118.7 Å²	118.7	84%	0.842	61%	0.612	S	S	*	*			trans	-69	92.3	172.5	-174.8	0	0	0	0	107.3	P181 K185	P181-V183 PolarHBondContact O-N 3.18Å; V183-K185 PolarHBondContact O-N 3.42Å
184	S	44.5	Very low	64.5	Low	93 Å²	93	125.3 Å²	125.3	65%	0.65	65%	0.646	S	S	*	*			trans	-61	104.8	171.3	176.2	0	0	0	0	108.6	T182 R186	T182-S184 VanDerWaalsContact C-N 3.28Å; T182-S184 PolarHBondContact O-N 2.83Å; S184-R186 VanDerWaalsContact C-N 3.26Å; S184-R186 PolarHBondContact O-N 3.22Å
185	K	47.7	Very low	62.7	Low	180 Å²	180	128.6 Å²	128.6	78%	0.783	67%	0.668	S	S	*	*			trans	-68.9	93.3	161.6	-75.5	-171.8	178.7	-177.3	0	107	V183 H187	V183-K185 PolarHBondContact O-N 3.42Å; K185-H187 PolarHBondContact O-N 3.02Å; K185-H187 PolarHBondContact O-ND1 2.99Å
186	R	45.8	Very low	60.7	Low	231 Å²	231	136 Å²	136	87%	0.872	71%	0.706	S	S	*	*			trans	-52.2	113.4	164.6	-72.7	-175.8	177.1	-175.3	-0.3	106.9	S184 C188	S184-R186 VanDerWaalsContact C-N 3.26Å; S184-R186 PolarHBondContact O-N 3.22Å; R186-C188 VanDerWaalsContact C-N 3.34Å; R186-C188 PolarHBondContact O-N 3Å
187	H	45.7	Very low	58.5	Low	157 Å²	157	139.1 Å²	139.1	73%	0.727	73%	0.729	S	S	*	*			trans	-65.7	101.9	167.6	-79.1	57.1	0	0	0	106.2	K185 F189	K185-H187 PolarHBondContact O-N 3.02Å; K185-H187 PolarHBondContact O-ND1 2.99Å; H187-F189 HydrophobicContact CB-CD2 4.4Å; H187-F189 HydrophobicContact CB-CE2 4.08Å; H187-F189 PolarHBondContact O-N 3.07Å; H187-F189 VanDerWaalsContact O-N 3.08Å
188	C	45.4	Very low	56.1	Low	111 Å²	111	147.3 Å²	147.3	75%	0.75	77%	0.772	S	S	*	*			trans	-73.6	96.8	171.1	-161.1	0	0	0	0	106.2	R186 L190	R186-C188 VanDerWaalsContact C-N 3.34Å; R186-C188 PolarHBondContact O-N 3Å; C188-L190 PolarHBondContact O-N 3.49Å; C188-L190 VanDerWaalsContact O-N 3.16Å
189	F	53.2	Low	53.6	Low	177 Å²	177	152.8 Å²	152.8	78%	0.776	80%	0.801	S	S	*	*			trans	-70.6	102.9	163.5	-74.1	-85.2	0	0	0	106.5	H187 L191	H187-F189 HydrophobicContact CB-CD2 4.4Å; H187-F189 HydrophobicContact CB-CE2 4.08Å; H187-F189 PolarHBondContact O-N 3.07Å; H187-F189 VanDerWaalsContact O-N 3.08Å; F189-L191 PolarHBondContact O-N 3.41Å
190	L	48.6	Very low	51.5	Low	166 Å²	166	157.4 Å²	157.4	87%	0.869	81%	0.814	S	S	*	*			trans	-72.7	105.8	161.5	-73.1	162.6	0	0	0	106	C188	C188-L190 PolarHBondContact O-N 3.49Å; C188-L190 VanDerWaalsContact O-N 3.16Å
191	L	54.3	Low	49.9	Very low	237 Å²	237	158 Å²	158	100%	1.241	82%	0.824	S	S	*	*			trans	-79	0	163.3	-77.2	164.8	0	0	0	109.4	F189	F189-L191 PolarHBondContact O-N 3.41Å

Retrieved 191 of 191 residues in 480.7 ms (Link to these results)

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