RAP2A_PIG Loading...

Ras-related protein Rap-2a

Small GTP-binding protein which cycles between a GDP-bound inactive and a GTP-bound active form. In its active form interacts with and regulates several effectors including MAP4K4, MINK1 and TNIK. Part of a signaling complex composed of NEDD4, RAP2A and TNIK which regulates neuronal dendrite extension and arborization during development. More generally, it is part of several signaling cascades and may regulate cytoskeletal rearrangements, cell migration, cell adhesion and cell spreading (By similarity).

AlphaFold DB , UniProt , Accession Q06AU2, Species PIG (Sus scrofa, Pig), Gene RAP2A, Length 183 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	83.4	Confident	96.3	Very high	137 Å²	137	40.3 Å²	40.3	68%	0.675	19%	0.185	S	C	*	.				0	137.9	0	-170	173.3	-68.2	0	0	107.4	P50 S51 V52	M1-P50 HydrophobicContact CE-CB 3.74Å; M1-P50 VanDerWaalsContact CG-O 3.24Å; M1-P50 WeakPolarHBondContact CG-O 3.45Å; M1-P50 HydrophobicContact SD-CB 4.32Å; M1-S51 VanDerWaalsContact CG-CA 3.45Å; M1-V52 HydrophobicContact CG-CG2 4.18Å; M1-V52 HydrophobicContact SD-CG2 3.62Å
2	R	93.7	Very high	96.2	Very high	101 Å²	101	39.8 Å²	39.8	38%	0.381	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	138.3	179.2	-177.4	164.1	171.5	-166.7	6.8	109.3	Y4 S51 V52 N165	R2-Y4 HydrophobicContact CB-CE2 4.32Å; R2-Y4 WeakPolarHBondContact CD-OH 3.33Å; R2-Y4 HydrophobicContact CG-CE1 4.31Å; R2-Y4 HydrophobicContact CG-CE2 3.92Å; R2-Y4 VanDerWaalsContact CZ-OH 3.31Å; R2-Y4 PolarHBondContact NE-OH 3.19Å; R2-Y4 PolarHBondContact NH1-OH 3.08Å; R2-S51 WeakPolarHBondContact O-CA 3.39Å; R2-V52 PolarHBondContact O-N 2.9Å; R2-N165 PolarHBondContact NH1-OD1 2.99Å
3	E	96.6	Very high	96.1	Very high	88 Å²	88	38.8 Å²	38.8	41%	0.411	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	137.9	177.7	-55.3	-166.6	143.5	0	0	109.8	R41 V52	E3-R41 IonicContact OE1-CZ 3.85Å; E3-R41 IonicContact OE1-NH2 3.51Å; E3-R41 PolarHBondContact OE1-NH2 2.9Å; E3-V52 CarbonylContact C-O 3.6Å; E3-V52 WeakPolarHBondContact CA-O 3.39Å; E3-V52 HydrophobicContact CG-CB 4.18Å
4	Y	98.2	Very high	96.2	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.5	177.6	-64	-81.8	0	0	0	110.6	R2 S51 V52 E54 V161 M164 N165	R2-Y4 HydrophobicContact CB-CE2 4.32Å; R2-Y4 WeakPolarHBondContact CD-OH 3.33Å; R2-Y4 HydrophobicContact CG-CE1 4.31Å; R2-Y4 HydrophobicContact CG-CE2 3.92Å; R2-Y4 VanDerWaalsContact CZ-OH 3.31Å; R2-Y4 PolarHBondContact NE-OH 3.19Å; R2-Y4 PolarHBondContact NH1-OH 3.08Å; Y4-S51 WeakPolarHBondContact CE2-OG 3.23Å; Y4-V52 PolarHBondContact N-O 3.43Å; Y4-E54 PolarHBondContact O-N 3.34Å; Y4-V161 HydrophobicContact CD2-CG1 4.02Å; Y4-V161 HydrophobicContact CD2-CG2 4.31Å; Y4-V161 HydrophobicContact CE2-CG1 3.7Å; Y4-M164 HydrophobicContact CD1-CB 3.65Å; Y4-M164 HydrophobicContact CD1-CE 3.83Å; Y4-M164 HydrophobicContact CD1-CG 4.36Å; Y4-M164 HydrophobicContact CD1-SD 3.83Å; Y4-M164 HydrophobicContact CE1-CB 3.83Å; Y4-M164 HydrophobicContact CG-CE 3.89Å; Y4-M164 HydrophobicContact CG-SD 4.32Å; Y4-N165 PolarHBondContact OH-ND2 3.27Å; Y4-N165 PolarHBondContact OH-OD1 3.48Å
5	K	98.5	Very high	96.3	Very high	94 Å²	94	34.7 Å²	34.7	41%	0.409	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	111.4	175.9	-55.6	-169.7	-178.5	-156.9	0	109.8	E54 Q76 G77	K5-E54 CarbonylContact C-O 3.57Å; K5-E54 WeakPolarHBondContact CA-O 3.4Å; K5-E54 WeakPolarHBondContact CE-OE2 3.24Å; K5-E54 HydrophobicContact CG-CB 4.34Å; K5-E54 IonicContact NZ-OE2 3.54Å; K5-E54 PolarHBondContact NZ-OE2 3.28Å; K5-Q76 HydrophobicContact CB-CG 4.41Å; K5-Q76 WeakPolarHBondContact O-CA 3.23Å; K5-Q76 WeakPolarHBondContact O-CB 3.24Å; K5-Q76 PolarHBondContact O-N 3.47Å; K5-G77 PolarHBondContact O-N 3.36Å; K5-G77 VanDerWaalsContact O-N 3.11Å
6	V	98.8	Very high	96.4	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141.1	175.6	65.2	0	0	0	0	110.5	L53 E54 I55 L56 G77 I79 I160 M164	V6-L53 HydrophobicContact CB-CD1 4.09Å; V6-L53 HydrophobicContact CG1-CD1 3.66Å; V6-L53 HydrophobicContact CG1-CD2 4.19Å; V6-L53 HydrophobicContact CG1-CG 3.96Å; V6-E54 PolarHBondContact N-O 3.38Å; V6-I55 HydrophobicContact CG1-CB 4.05Å; V6-I55 HydrophobicContact CG1-CG1 3.69Å; V6-I55 HydrophobicContact CG1-CG2 4.05Å; V6-L56 PolarHBondContact O-N 3.08Å; V6-G77 CarbonylContact C-O 3.49Å; V6-G77 WeakPolarHBondContact CA-O 3.5Å; V6-I79 HydrophobicContact CG2-CD1 3.84Å; V6-I79 HydrophobicContact CG2-CG1 3.73Å; V6-I160 HydrophobicContact CG2-CG1 3.68Å; V6-I160 HydrophobicContact CG2-CG2 4.14Å; V6-M164 HydrophobicContact CB-CE 4.46Å
7	V	98.7	Very high	96.5	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.6	173.9	-171.4	0	0	0	0	108.9	L9 L56 T58 G77 F78 I79	V7-L9 HydrophobicContact CG1-CD1 4.37Å; V7-L9 HydrophobicContact CG1-CD2 4.04Å; V7-L9 HydrophobicContact CG1-CG 3.95Å; V7-L56 HydrophobicContact CG1-CB 4.46Å; V7-L56 HydrophobicContact CG1-CD2 4.22Å; V7-L56 HydrophobicContact CG1-CG 4.29Å; V7-L56 HydrophobicContact CG2-CB 4.3Å; V7-L56 HydrophobicContact CG2-CD2 4.17Å; V7-T58 HydrophobicContact CG1-CG2 3.73Å; V7-G77 PolarHBondContact N-O 2.94Å; V7-F78 HydrophobicContact CB-CD1 3.98Å; V7-F78 HydrophobicContact CB-CE1 4.03Å; V7-F78 HydrophobicContact CG2-CD1 4.46Å; V7-F78 HydrophobicContact CG2-CE1 4.04Å; V7-F78 WeakPolarHBondContact O-CA 3.04Å; V7-I79 PolarHBondContact O-N 2.76Å
8	V	98.7	Very high	96.5	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	119.8	176.6	-165.8	0	0	0	0	108.8	K16 I55 L56 T58 I79 V81	V8-K16 HydrophobicContact CB-CB 4.46Å; V8-K16 HydrophobicContact CG1-CB 3.68Å; V8-K16 HydrophobicContact CG1-CD 4.14Å; V8-K16 HydrophobicContact CG1-CG 3.9Å; V8-I55 HydrophobicContact CG2-CG2 3.69Å; V8-L56 PolarHBondContact N-O 3.02Å; V8-T58 PolarHBondContact O-OG1 3.01Å; V8-I79 HydrophobicContact CG1-CB 4.29Å; V8-I79 HydrophobicContact CG1-CG2 4.26Å; V8-I79 HydrophobicContact CG2-CB 4.47Å; V8-I79 HydrophobicContact CG2-CD1 4.34Å; V8-V81 HydrophobicContact CG1-CG2 3.75Å
9	L	98.1	Very high	96.7	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	155.5	-174.6	-66.6	168.1	0	0	0	110.9	V7 K16 T58 R68 I72 F78 I79 L80 V81 M96 I100	V7-L9 HydrophobicContact CG1-CD1 4.37Å; V7-L9 HydrophobicContact CG1-CD2 4.04Å; V7-L9 HydrophobicContact CG1-CG 3.95Å; L9-K16 VanDerWaalsContact C-CD 3.46Å; L9-T58 HydrophobicContact CD2-CG2 4.24Å; L9-R68 HydrophobicContact CD2-CG 4.01Å; L9-I72 HydrophobicContact CD1-CG1 4.22Å; L9-F78 HydrophobicContact CD1-CD1 4.02Å; L9-I79 PolarHBondContact N-O 3.23Å; L9-L80 HydrophobicContact CB-CD2 4.17Å; L9-V81 PolarHBondContact O-N 3.29Å; L9-M96 HydrophobicContact CB-SD 4.5Å; L9-I100 HydrophobicContact CD1-CD1 3.72Å; L9-I100 HydrophobicContact CD1-CG1 4.06Å
10	G	97.9	Very high	96.7	Very high	3 Å²	3	29.2 Å²	29.2	3%	0.031	16%	0.164	C	C	.	.			trans	144.4	162.3	-176.8	0	0	0	0	0	112.3	K16 G60 V81	G10-K16 WeakPolarHBondContact O-CE 3.32Å; G10-K16 PolarHBondContact O-NZ 2.88Å; G10-G60 VanDerWaalsContact O-CA 3.25Å; G10-G60 WeakPolarHBondContact O-CA 3.25Å; G10-V81 VanDerWaalsContact CA-O 3.32Å; G10-V81 WeakPolarHBondContact CA-O 3.48Å
11	S	96.6	Very high	96.7	Very high	13 Å²	13	28.8 Å²	28.8	9%	0.091	16%	0.162	C	C	.	.	S	Bend	trans	-58.4	166.8	-176.4	-52.4	0	0	0	0	113.3	V14 K16 G60 D92	S11-V14 WeakPolarHBondContact O-CG1 2.94Å; S11-V14 VanDerWaalsContact O-CG2 3.27Å; S11-V14 WeakPolarHBondContact O-CG2 3.41Å; S11-K16 PolarHBondContact O-NZ 3.47Å; S11-G60 CarbonylContact C-O 3.6Å; S11-D92 WeakPolarHBondContact OG-CB 3.45Å; S11-D92 PolarHBondContact OG-OD2 3.43Å
12	G	94.7	Very high	97.4	Very high	34 Å²	34	22.7 Å²	22.7	35%	0.351	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	142	173.4	0	0	0	0	0	111.7	V14 G60	G12-V14 PolarHBondContact O-N 2.87Å; G12-V14 VanDerWaalsContact O-N 3.15Å; G12-G60 PolarHBondContact N-O 3.48Å
13	G	94.8	Very high	97.7	Very high	28 Å²	28	18.2 Å²	18.2	29%	0.289	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	4.4	173.8	0	0	0	0	0	117.1	G15 Y32 K117	G13-G15 VanDerWaalsContact C-N 3.25Å; G13-G15 PolarHBondContact O-N 3.28Å; G13-Y32 PolarHBondContact N-OH 3.06Å; G13-Y32 VanDerWaalsContact N-OH 3.15Å; G13-K117 VanDerWaalsContact O-CE 3.25Å; G13-K117 WeakPolarHBondContact O-CE 3.3Å; G13-K117 PolarHBondContact O-NZ 3.45Å
14	V	97.6	Very high	97.7	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	11%	0.106	C	C	.	.	S	Bend	trans	-72	-19	177.1	-57.2	0	0	0	0	113.3	S11 G12 K16 V81 N116	S11-V14 WeakPolarHBondContact O-CG1 2.94Å; S11-V14 VanDerWaalsContact O-CG2 3.27Å; S11-V14 WeakPolarHBondContact O-CG2 3.41Å; G12-V14 PolarHBondContact O-N 2.87Å; G12-V14 VanDerWaalsContact O-N 3.15Å; V14-K16 HydrophobicContact CG2-CD 4.34Å; V14-K16 HydrophobicContact CG2-CG 3.62Å; V14-V81 HydrophobicContact CB-CG1 4.25Å; V14-V81 HydrophobicContact CG2-CB 3.94Å; V14-V81 HydrophobicContact CG2-CG1 3.82Å; V14-N116 PolarHBondContact O-ND2 3.11Å
15	G	97.9	Very high	97.6	Very high	15 Å²	15	19.5 Å²	19.5	16%	0.155	13%	0.129	C	C	.	.	S	Bend	trans	104.7	24.1	175.8	0	0	0	0	0	115.9	G13 S17 A18 L19	G13-G15 VanDerWaalsContact C-N 3.25Å; G13-G15 PolarHBondContact O-N 3.28Å; G15-S17 PolarHBondContact O-N 2.85Å; G15-A18 PolarHBondContact O-N 3.4Å; G15-L19 WeakPolarHBondContact O-CG 3.14Å; G15-L19 PolarHBondContact O-N 3.04Å
16	K	98.1	Very high	97.4	Very high	10 Å²	10	17.1 Å²	17.1	4%	0.043	13%	0.131	C	C	.	.	H	α-helix	trans	-53.1	-53.4	175.3	-55.1	-171.1	-58.7	-73.4	0	112.7	V8 L9 G10 S11 V14 A18 L19 T20 D57 T58 G60 V81	V8-K16 HydrophobicContact CB-CB 4.46Å; V8-K16 HydrophobicContact CG1-CB 3.68Å; V8-K16 HydrophobicContact CG1-CD 4.14Å; V8-K16 HydrophobicContact CG1-CG 3.9Å; L9-K16 VanDerWaalsContact C-CD 3.46Å; G10-K16 WeakPolarHBondContact O-CE 3.32Å; G10-K16 PolarHBondContact O-NZ 2.88Å; S11-K16 PolarHBondContact O-NZ 3.47Å; V14-K16 HydrophobicContact CG2-CD 4.34Å; V14-K16 HydrophobicContact CG2-CG 3.62Å; K16-A18 PolarHBondContact O-N 2.92Å; K16-L19 PolarHBondContact O-N 3.32Å; K16-T20 WeakPolarHBondContact O-CB 3.37Å; K16-T20 PolarHBondContact O-N 3.28Å; K16-T20 PolarHBondContact O-OG1 3.42Å; K16-D57 VanDerWaalsContact CB-OD1 3.3Å; K16-D57 WeakPolarHBondContact CB-OD1 3.37Å; K16-T58 WeakPolarHBondContact CE-O 3.49Å; K16-T58 PolarHBondContact NZ-O 3.06Å; K16-G60 VanDerWaalsContact NZ-CA 3.32Å; K16-V81 HydrophobicContact CG-CB 4.19Å; K16-V81 HydrophobicContact CG-CG2 4.26Å
17	S	97.4	Very high	97.2	Very high	28 Å²	28	20.3 Å²	20.3	20%	0.196	15%	0.154	C	C	.	.	H	α-helix	trans	-65.8	-39.6	178.4	-37.7	0	0	0	0	111.7	G15 L19 T20 V21 T35 D57	G15-S17 PolarHBondContact O-N 2.85Å; S17-L19 PolarHBondContact O-N 3.03Å; S17-T20 PolarHBondContact O-N 2.71Å; S17-V21 WeakPolarHBondContact O-CB 3.44Å; S17-V21 VanDerWaalsContact O-CG2 3.3Å; S17-V21 WeakPolarHBondContact O-CG2 3.1Å; S17-V21 PolarHBondContact O-N 2.97Å; S17-T35 PolarHBondContact OG-OG1 3.32Å; S17-D57 WeakPolarHBondContact CA-OD2 3.33Å; S17-D57 WeakPolarHBondContact CB-OD2 3.4Å; S17-D57 PolarHBondContact OG-OD2 3.09Å
18	A	97.8	Very high	96.8	Very high	24 Å²	24	23.7 Å²	23.7	20%	0.198	17%	0.168	C	C	.	.	H	α-helix	trans	-63.2	-42.2	176.7	0	0	0	0	0	112	G15 K16 Q22 F28 A147	G15-A18 PolarHBondContact O-N 3.4Å; K16-A18 PolarHBondContact O-N 2.92Å; A18-Q22 WeakPolarHBondContact O-CB 3.49Å; A18-Q22 PolarHBondContact O-N 3.06Å; A18-F28 HydrophobicContact CB-CD2 4.31Å; A18-F28 HydrophobicContact CB-CE2 3.96Å; A18-A147 HydrophobicContact CB-CB 3.64Å
19	L	98.8	Very high	96.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-63.4	-46	173.7	-73.1	169.9	0	0	0	111.2	G15 K16 S17 Q22 F23 V81 V114 N116 A147 V153 L156	G15-L19 WeakPolarHBondContact O-CG 3.14Å; G15-L19 PolarHBondContact O-N 3.04Å; K16-L19 PolarHBondContact O-N 3.32Å; S17-L19 PolarHBondContact O-N 3.03Å; L19-Q22 PolarHBondContact O-N 3.44Å; L19-F23 WeakPolarHBondContact O-CB 3.41Å; L19-F23 PolarHBondContact O-N 3.39Å; L19-V81 HydrophobicContact CD1-CG1 4.01Å; L19-V81 HydrophobicContact CD1-CG2 4.15Å; L19-V114 HydrophobicContact CD1-CG1 4.3Å; L19-N116 HydrophobicContact CD1-CB 4.26Å; L19-A147 HydrophobicContact CD2-CB 3.91Å; L19-A147 HydrophobicContact CG-CB 4.13Å; L19-V153 HydrophobicContact CD2-CG2 3.85Å; L19-L156 HydrophobicContact CD1-CD2 4.18Å
20	T	98.3	Very high	95.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-49.6	-178.7	-57.3	0	0	0	0	111.7	K16 S17 F23 V24 Y40 I55	K16-T20 WeakPolarHBondContact O-CB 3.37Å; K16-T20 PolarHBondContact O-N 3.28Å; K16-T20 PolarHBondContact O-OG1 3.42Å; S17-T20 PolarHBondContact O-N 2.71Å; T20-F23 PolarHBondContact O-N 3.44Å; T20-V24 HydrophobicContact CG2-CG2 4.4Å; T20-V24 WeakPolarHBondContact O-CB 3.46Å; T20-V24 VanDerWaalsContact O-CG2 3.23Å; T20-V24 WeakPolarHBondContact O-CG2 3.43Å; T20-V24 PolarHBondContact O-N 3.2Å; T20-Y40 HydrophobicContact CG2-CD2 3.3Å; T20-Y40 HydrophobicContact CG2-CE2 3.64Å; T20-Y40 HydrophobicContact CG2-CG 3.84Å; T20-I55 HydrophobicContact CG2-CB 4.23Å; T20-I55 HydrophobicContact CG2-CD1 4.23Å; T20-I55 HydrophobicContact CG2-CG2 3.67Å
21	V	97	Very high	95	Very high	20 Å²	20	44.5 Å²	44.5	12%	0.121	27%	0.265	C	S	.	.	H	α-helix	trans	-65.7	-40.6	178	173.9	0	0	0	0	111.1	S17 F23 V24 T25 I29 Y40	S17-V21 WeakPolarHBondContact O-CB 3.44Å; S17-V21 VanDerWaalsContact O-CG2 3.3Å; S17-V21 WeakPolarHBondContact O-CG2 3.1Å; S17-V21 PolarHBondContact O-N 2.97Å; V21-F23 VanDerWaalsContact C-N 3.3Å; V21-F23 PolarHBondContact O-N 3.44Å; V21-V24 PolarHBondContact O-N 3.4Å; V21-T25 HydrophobicContact CG1-CG2 4.26Å; V21-T25 WeakPolarHBondContact CG1-OG1 3.46Å; V21-T25 WeakPolarHBondContact O-CB 3.12Å; V21-T25 PolarHBondContact O-N 2.95Å; V21-T25 PolarHBondContact O-OG1 3.36Å; V21-I29 HydrophobicContact CG1-CD1 4.08Å; V21-I29 HydrophobicContact CG1-CG1 4.42Å; V21-Y40 HydrophobicContact CG2-CE1 4.32Å
22	Q	97.8	Very high	94.2	Very high	10 Å²	10	50.3 Å²	50.3	5%	0.047	29%	0.285	C	S	.	.	H	α-helix	trans	-63	-39.3	176.7	-178.1	71	-55.3	0	0	111.3	A18 L19 G26 S27 A147 K150 V153	A18-Q22 WeakPolarHBondContact O-CB 3.49Å; A18-Q22 PolarHBondContact O-N 3.06Å; L19-Q22 PolarHBondContact O-N 3.44Å; Q22-G26 WeakPolarHBondContact O-CA 3.49Å; Q22-G26 PolarHBondContact O-N 2.63Å; Q22-G26 PolarHBondContact OE1-O 3.45Å; Q22-S27 WeakPolarHBondContact CA-O 3.25Å; Q22-S27 VanDerWaalsContact OE1-CA 3.28Å; Q22-S27 PolarHBondContact OE1-O 3.07Å; Q22-A147 WeakPolarHBondContact CG-O 3.19Å; Q22-A147 PolarHBondContact NE2-O 2.89Å; Q22-K150 HydrophobicContact CG-CB 4.23Å; Q22-K150 HydrophobicContact CG-CG 3.88Å; Q22-V153 HydrophobicContact CB-CG1 4.38Å; Q22-V153 HydrophobicContact CG-CG1 4.2Å; Q22-V153 HydrophobicContact CG-CG2 4.24Å
23	F	98.4	Very high	93.9	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.026	30%	0.299	C	S	.	.	H	α-helix	trans	-66.5	-49.9	173.6	174.7	-113.3	0	0	0	111.8	L19 T20 V21 K42 I44 L53 I55 V153 D154 F157	L19-F23 WeakPolarHBondContact O-CB 3.41Å; L19-F23 PolarHBondContact O-N 3.39Å; T20-F23 PolarHBondContact O-N 3.44Å; V21-F23 VanDerWaalsContact C-N 3.3Å; V21-F23 PolarHBondContact O-N 3.44Å; F23-K42 HydrophobicContact CD1-CD 3.86Å; F23-K42 HydrophobicContact CE1-CB 4.1Å; F23-K42 HydrophobicContact CE1-CD 3.32Å; F23-K42 HydrophobicContact CE1-CG 4.34Å; F23-K42 HydrophobicContact CE2-CD 4.07Å; F23-K42 HydrophobicContact CG-CD 4.43Å; F23-K42 HydrophobicContact CZ-CD 3.45Å; F23-K42 VanDerWaalsContact CZ-CD 3.45Å; F23-K42 WeakPolarHBondContact O-CE 3.43Å; F23-K42 PolarHBondContact O-NZ 2.59Å; F23-I44 HydrophobicContact CE2-CD1 4.32Å; F23-I44 HydrophobicContact CZ-CD1 3.87Å; F23-I44 HydrophobicContact CZ-CG1 4.32Å; F23-L53 HydrophobicContact CE1-CD2 4.24Å; F23-I55 HydrophobicContact CD1-CD1 3.63Å; F23-I55 HydrophobicContact CE1-CD1 3.84Å; F23-V153 HydrophobicContact CB-CG1 3.79Å; F23-D154 WeakPolarHBondContact CD2-OD1 3Å; F23-F157 HydrophobicContact CB-CD2 3.43Å; F23-F157 VanDerWaalsContact CB-CD2 3.43Å; F23-F157 HydrophobicContact CB-CE2 3.34Å; F23-F157 HydrophobicContact CB-CG 4.3Å; F23-F157 HydrophobicContact CB-CZ 4.14Å; F23-F157 HydrophobicContact CD1-CB 4.13Å; F23-F157 AromaticContact CD1-CD1 3.99Å; F23-F157 HydrophobicContact CD1-CD1 3.99Å; F23-F157 AromaticContact CD1-CD2 3.68Å; F23-F157 HydrophobicContact CD1-CD2 3.68Å; F23-F157 HydrophobicContact CD1-CE1 4.31Å; F23-F157 HydrophobicContact CD1-CE2 4.03Å; F23-F157 AromaticContact CD1-CG 3.66Å; F23-F157 HydrophobicContact CD1-CG 3.66Å; F23-F157 HydrophobicContact CD1-CZ 4.33Å; F23-F157 HydrophobicContact CD2-CB 3.86Å; F23-F157 AromaticContact CD2-CD2 3.55Å; F23-F157 HydrophobicContact CD2-CD2 3.55Å; F23-F157 HydrophobicContact CD2-CE2 4.37Å; F23-F157 AromaticContact CD2-CG 3.9Å; F23-F157 HydrophobicContact CD2-CG 3.9Å; F23-F157 HydrophobicContact CE1-CB 3.87Å; F23-F157 HydrophobicContact CE1-CD1 4.16Å; F23-F157 HydrophobicContact CE1-CD2 4.31Å; F23-F157 AromaticContact CE1-CG 3.86Å; F23-F157 HydrophobicContact CE1-CG 3.86Å; F23-F157 HydrophobicContact CE2-CB 3.59Å; F23-F157 HydrophobicContact CE2-CD2 4.2Å; F23-F157 HydrophobicContact CE2-CG 4.1Å; F23-F157 HydrophobicContact CG-CB 4.12Å; F23-F157 HydrophobicContact CG-CD1 4.41Å; F23-F157 AromaticContact CG-CD2 3.25Å; F23-F157 HydrophobicContact CG-CD2 3.25Å; F23-F157 AromaticContact CG-CE2 3.67Å; F23-F157 HydrophobicContact CG-CE2 3.67Å; F23-F157 AromaticContact CG-CG 3.68Å; F23-F157 HydrophobicContact CG-CG 3.68Å; F23-F157 HydrophobicContact CG-CZ 4.4Å; F23-F157 HydrophobicContact CZ-CB 3.6Å; F23-F157 HydrophobicContact CZ-CG 4.08Å
24	V	97.6	Very high	93.7	Very high	38 Å²	38	56.6 Å²	56.6	23%	0.23	31%	0.309	C	S	.	.	H	α-helix	trans	-71.2	-40.8	-172.5	174.7	0	0	0	0	112.2	T20 V21 Y40 I55	T20-V24 HydrophobicContact CG2-CG2 4.4Å; T20-V24 WeakPolarHBondContact O-CB 3.46Å; T20-V24 VanDerWaalsContact O-CG2 3.23Å; T20-V24 WeakPolarHBondContact O-CG2 3.43Å; T20-V24 PolarHBondContact O-N 3.2Å; V21-V24 PolarHBondContact O-N 3.4Å; V24-Y40 HydrophobicContact CB-CD1 4.41Å; V24-Y40 HydrophobicContact CG1-CD1 4.18Å; V24-Y40 HydrophobicContact CG2-CD1 4.19Å; V24-Y40 HydrophobicContact CG2-CG 4.16Å; V24-I55 HydrophobicContact CG2-CD1 4.07Å
25	T	95.4	Very high	93.2	Very high	78 Å²	78	57.5 Å²	57.5	48%	0.479	31%	0.314	S	S	.	.	H	α-helix	trans	-112.5	-12.2	-169.8	72.3	0	0	0	0	114	V21 S27	V21-T25 HydrophobicContact CG1-CG2 4.26Å; V21-T25 WeakPolarHBondContact CG1-OG1 3.46Å; V21-T25 WeakPolarHBondContact O-CB 3.12Å; V21-T25 PolarHBondContact O-N 2.95Å; V21-T25 PolarHBondContact O-OG1 3.36Å; T25-S27 PolarHBondContact O-N 2.99Å; T25-S27 PolarHBondContact OG1-N 3.38Å
26	G	95.6	Very high	92.7	Very high	44 Å²	44	61.6 Å²	61.6	45%	0.454	33%	0.332	S	S	.	.	S	Bend	trans	67.9	13.8	-172.9	0	0	0	0	0	114.2	Q22	Q22-G26 WeakPolarHBondContact O-CA 3.49Å; Q22-G26 PolarHBondContact O-N 2.63Å; Q22-G26 PolarHBondContact OE1-O 3.45Å
27	S	93.5	Very high	92.4	Very high	68 Å²	68	64 Å²	64	48%	0.476	34%	0.343	S	S	.	.			trans	-118.9	139.7	-179.5	-58.7	0	0	0	0	112.1	Q22 T25	Q22-S27 WeakPolarHBondContact CA-O 3.25Å; Q22-S27 VanDerWaalsContact OE1-CA 3.28Å; Q22-S27 PolarHBondContact OE1-O 3.07Å; T25-S27 PolarHBondContact O-N 2.99Å; T25-S27 PolarHBondContact OG1-N 3.38Å
28	F	91.6	Very high	92.4	Very high	73 Å²	73	66.1 Å²	66.1	32%	0.32	35%	0.352	S	S	.	.			trans	-99.6	124.4	169.7	178.6	-104.1	0	0	0	109.9	A18 E30 A147 K148	A18-F28 HydrophobicContact CB-CD2 4.31Å; A18-F28 HydrophobicContact CB-CE2 3.96Å; F28-E30 HydrophobicContact CD1-CG 4.13Å; F28-E30 HydrophobicContact CE1-CB 4.45Å; F28-E30 HydrophobicContact CE1-CG 3.92Å; F28-A147 HydrophobicContact CD2-CB 4.15Å; F28-A147 HydrophobicContact CE2-CB 4.15Å; F28-K148 HydrophobicContact CD1-CB 4.45Å; F28-K148 HydrophobicContact CD1-CG 4.16Å; F28-K148 HydrophobicContact CD2-CB 4.38Å; F28-K148 HydrophobicContact CE1-CB 4.23Å; F28-K148 HydrophobicContact CE1-CG 3.97Å; F28-K148 HydrophobicContact CE2-CB 4.15Å; F28-K148 HydrophobicContact CZ-CB 4.08Å; F28-K148 HydrophobicContact CZ-CG 4.3Å
29	I	87.4	Confident	92.3	Very high	108 Å²	108	71.8 Å²	71.8	55%	0.554	37%	0.372	S	S	*	.			trans	-99	115.4	176.4	-58.2	175.8	0	0	0	108	V21 K31	V21-I29 HydrophobicContact CG1-CD1 4.08Å; V21-I29 HydrophobicContact CG1-CG1 4.42Å; I29-K31 VanDerWaalsContact C-N 3.29Å; I29-K31 HydrophobicContact CG2-CB 4.32Å; I29-K31 PolarHBondContact O-N 3.33Å
30	E	83.6	Confident	92.3	Very high	169 Å²	169	74.5 Å²	74.5	79%	0.79	38%	0.383	S	S	*	.			trans	-67.9	-29.7	-178.1	-62.6	-169.5	158.6	0	0	113	F28 Y32	F28-E30 HydrophobicContact CD1-CG 4.13Å; F28-E30 HydrophobicContact CE1-CB 4.45Å; F28-E30 HydrophobicContact CE1-CG 3.92Å; E30-Y32 PolarHBondContact O-N 3.19Å
31	K	86	Confident	92.3	Very high	167 Å²	167	81.6 Å²	81.6	73%	0.726	41%	0.41	S	S	*	.	S	Bend	trans	-74.1	121.2	179.8	-172.8	-176.3	176	-167.6	0	110.1	I29	I29-K31 VanDerWaalsContact C-N 3.29Å; I29-K31 HydrophobicContact CG2-CB 4.32Å; I29-K31 PolarHBondContact O-N 3.33Å
32	Y	79.7	Confident	92.3	Very high	134 Å²	134	83.4 Å²	83.4	53%	0.525	42%	0.416	S	S	.	.			trans	-84.3	128.6	171.2	179.6	-110.7	0	0	0	111.2	G13 E30 P34	G13-Y32 PolarHBondContact N-OH 3.06Å; G13-Y32 VanDerWaalsContact N-OH 3.15Å; E30-Y32 PolarHBondContact O-N 3.19Å; Y32-P34 HydrophobicContact CE1-CG 3.84Å
33	D	86.9	Confident	92.3	Very high	118 Å²	118	90.1 Å²	90.1	63%	0.631	45%	0.447	S	S	*	.			trans	-128.7	124.4	168	-163.2	-1.9	0	0	0	107.9	T35	D33-T35 PolarHBondContact O-N 2.91Å; D33-T35 VanDerWaalsContact O-N 3.14Å
34	P	90.3	Very high	92.3	Very high	77 Å²	77	90.9 Å²	90.9	50%	0.5	45%	0.452	S	S	.	.			trans	-59.9	116.2	178.7	-24.7	34.2	0	0	0	112.7	Y32	Y32-P34 HydrophobicContact CE1-CG 3.84Å
35	T	88.3	Confident	92.3	Very high	20 Å²	20	95.3 Å²	95.3	12%	0.123	47%	0.469	C	S	.	.			trans	-66.4	140.9	173.6	-55	0	0	0	0	111.5	S17 D33 D38 A59	S17-T35 PolarHBondContact OG-OG1 3.32Å; D33-T35 PolarHBondContact O-N 2.91Å; D33-T35 VanDerWaalsContact O-N 3.14Å; T35-D38 HydrophobicContact CG2-CB 4.38Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.35Å; T35-A59 VanDerWaalsContact O-CA 3.24Å; T35-A59 WeakPolarHBondContact O-CA 3.24Å; T35-A59 VanDerWaalsContact O-CB 3.23Å; T35-A59 WeakPolarHBondContact O-CB 3.37Å
36	I	87.4	Confident	92.4	Very high	101 Å²	101	91.8 Å²	91.8	52%	0.518	45%	0.448	S	S	.	.	S	Bend	trans	-88.5	-63	162	-65.8	178.7	0	0	0	108.1	A59 F64	I36-A59 VanDerWaalsContact O-CB 3.25Å; I36-A59 WeakPolarHBondContact O-CB 3.5Å; I36-A59 PolarHBondContact O-N 3.15Å; I36-F64 HydrophobicContact CB-CE1 4.36Å; I36-F64 HydrophobicContact CB-CZ 4.29Å; I36-F64 HydrophobicContact CD1-CZ 4.16Å; I36-F64 HydrophobicContact CG1-CE1 4.24Å; I36-F64 HydrophobicContact CG1-CE2 4.31Å; I36-F64 HydrophobicContact CG1-CZ 3.74Å; I36-F64 HydrophobicContact CG2-CD1 4.04Å; I36-F64 HydrophobicContact CG2-CE1 3.53Å; I36-F64 HydrophobicContact CG2-CZ 3.95Å
37	E	92.2	Very high	92.4	Very high	61 Å²	61	94.8 Å²	94.8	29%	0.285	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	129.3	177.9	-175.4	176.4	166.2	0	0	107.6	F39 L56 D57 Y71	E37-F39 HydrophobicContact CG-CE2 3.9Å; E37-F39 HydrophobicContact CG-CZ 4.39Å; E37-F39 WeakPolarHBondContact OE1-CE2 3.38Å; E37-F39 WeakPolarHBondContact OE1-CZ 3.47Å; E37-L56 HydrophobicContact CG-CD1 3.4Å; E37-L56 WeakPolarHBondContact OE1-CD1 3.46Å; E37-D57 WeakPolarHBondContact CA-O 3.39Å; E37-Y71 VanDerWaalsContact CD-CE1 3.4Å; E37-Y71 HydrophobicContact CG-CE1 4.4Å; E37-Y71 WeakPolarHBondContact OE1-CE1 3.3Å; E37-Y71 WeakPolarHBondContact OE2-CE1 3.33Å; E37-Y71 VanDerWaalsContact OE2-CZ 3.23Å; E37-Y71 PolarHBondContact OE2-OH 2.85Å
38	D	95.8	Very high	92.4	Very high	71 Å²	71	96.5 Å²	96.5	38%	0.38	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	141	175.6	-78.4	-59.1	0	0	0	110.3	T35 Y40 D57	T35-D38 HydrophobicContact CG2-CB 4.38Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.35Å; D38-Y40 HydrophobicContact CB-CD2 4.43Å; D38-Y40 HydrophobicContact CB-CE2 3.61Å; D38-D57 HydrophobicContact CB-CB 4.41Å; D38-D57 PolarHBondContact N-O 3.1Å; D38-D57 PolarHBondContact O-N 2.92Å
39	F	97	Very high	92.6	Very high	144 Å²	144	95.7 Å²	95.7	63%	0.632	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	126.6	178.8	-72	-89.1	0	0	0	110.7	E37 L56	E37-F39 HydrophobicContact CG-CE2 3.9Å; E37-F39 HydrophobicContact CG-CZ 4.39Å; E37-F39 WeakPolarHBondContact OE1-CE2 3.38Å; E37-F39 WeakPolarHBondContact OE1-CZ 3.47Å; F39-L56 HydrophobicContact CD1-CD1 3.95Å; F39-L56 HydrophobicContact CD2-CD1 4.35Å; F39-L56 HydrophobicContact CE1-CB 4.31Å; F39-L56 HydrophobicContact CE1-CD1 3.52Å; F39-L56 HydrophobicContact CE1-CD2 4.36Å; F39-L56 HydrophobicContact CE1-CG 4.27Å; F39-L56 HydrophobicContact CE2-CD1 3.95Å; F39-L56 HydrophobicContact CG-CD1 4.35Å; F39-L56 HydrophobicContact CZ-CD1 3.52Å
40	Y	98	Very high	93.1	Very high	57 Å²	57	93.9 Å²	93.9	22%	0.224	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	151.4	173.6	-57.1	-93	0	0	0	110.5	T20 V21 V24 D38 E54 I55 D57	T20-Y40 HydrophobicContact CG2-CD2 3.3Å; T20-Y40 HydrophobicContact CG2-CE2 3.64Å; T20-Y40 HydrophobicContact CG2-CG 3.84Å; V21-Y40 HydrophobicContact CG2-CE1 4.32Å; V24-Y40 HydrophobicContact CB-CD1 4.41Å; V24-Y40 HydrophobicContact CG1-CD1 4.18Å; V24-Y40 HydrophobicContact CG2-CD1 4.19Å; V24-Y40 HydrophobicContact CG2-CG 4.16Å; D38-Y40 HydrophobicContact CB-CD2 4.43Å; D38-Y40 HydrophobicContact CB-CE2 3.61Å; Y40-E54 CarbonylContact O-C 3.6Å; Y40-E54 WeakPolarHBondContact O-CA 3.38Å; Y40-I55 PolarHBondContact N-O 3.18Å; Y40-I55 PolarHBondContact O-N 3.41Å; Y40-D57 HydrophobicContact CE2-CB 4.21Å
41	R	98	Very high	93.7	Very high	149 Å²	149	85.9 Å²	85.9	56%	0.562	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.7	126.5	175.4	-168.2	168	178.6	-99.1	-0	108.4	E3 V52 L53 E54	E3-R41 IonicContact OE1-CZ 3.85Å; E3-R41 IonicContact OE1-NH2 3.51Å; E3-R41 PolarHBondContact OE1-NH2 2.9Å; R41-V52 HydrophobicContact CG-CG1 3.51Å; R41-L53 WeakPolarHBondContact CA-O 3.37Å; R41-E54 HydrophobicContact CG-CG 4.24Å; R41-E54 IonicContact NE-OE1 3.47Å
42	K	98.1	Very high	94.3	Very high	59 Å²	59	78.2 Å²	78.2	26%	0.257	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	136.9	180	-159.4	-163.7	179.4	-179.6	0	110.3	F23 L53	F23-K42 HydrophobicContact CD1-CD 3.86Å; F23-K42 HydrophobicContact CE1-CB 4.1Å; F23-K42 HydrophobicContact CE1-CD 3.32Å; F23-K42 HydrophobicContact CE1-CG 4.34Å; F23-K42 HydrophobicContact CE2-CD 4.07Å; F23-K42 HydrophobicContact CG-CD 4.43Å; F23-K42 HydrophobicContact CZ-CD 3.45Å; F23-K42 VanDerWaalsContact CZ-CD 3.45Å; F23-K42 WeakPolarHBondContact O-CE 3.43Å; F23-K42 PolarHBondContact O-NZ 2.59Å; K42-L53 PolarHBondContact N-O 3.39Å; K42-L53 PolarHBondContact O-N 2.96Å
43	E	98.1	Very high	95.2	Very high	151 Å²	151	71.9 Å²	71.9	71%	0.706	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	135	164.4	-66.4	-175.8	177.7	0	0	109.2
44	I	97.8	Very high	95.8	Very high	22 Å²	22	68.8 Å²	68.8	11%	0.113	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	140.2	179.9	-168	-176.8	0	0	0	109	F23 V46 S51 L53 F157 A158 V161	F23-I44 HydrophobicContact CE2-CD1 4.32Å; F23-I44 HydrophobicContact CZ-CD1 3.87Å; F23-I44 HydrophobicContact CZ-CG1 4.32Å; I44-V46 HydrophobicContact CD1-CG2 3.66Å; I44-V46 HydrophobicContact CG1-CG2 3.89Å; I44-V46 HydrophobicContact CG2-CG2 4.44Å; I44-S51 PolarHBondContact N-O 3.16Å; I44-S51 CarbonylContact O-C 3.54Å; I44-S51 PolarHBondContact O-N 3.17Å; I44-L53 HydrophobicContact CG2-CB 4.04Å; I44-F157 HydrophobicContact CD1-CB 4.48Å; I44-A158 HydrophobicContact CD1-CB 4.44Å; I44-V161 HydrophobicContact CG2-CG2 4.44Å
45	E	97.3	Very high	96.2	Very high	130 Å²	130	65.1 Å²	65.1	61%	0.607	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.5	170.8	-172.3	177.8	162.9	0	0	108.6	S48 P50	E45-S48 WeakPolarHBondContact OE1-CA 3.25Å; E45-P50 HydrophobicContact CG-CG 4.46Å
46	V	97	Very high	96.7	Very high	4 Å²	4	65 Å²	65	2%	0.024	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	126	179.1	-178.5	0	0	0	0	107.8	I44 S48 S49 A158 V161 R162	I44-V46 HydrophobicContact CD1-CG2 3.66Å; I44-V46 HydrophobicContact CG1-CG2 3.89Å; I44-V46 HydrophobicContact CG2-CG2 4.44Å; V46-S48 VanDerWaalsContact C-N 3.29Å; V46-S48 PolarHBondContact O-N 2.74Å; V46-S49 PolarHBondContact N-O 2.76Å; V46-S49 WeakPolarHBondContact O-CA 2.95Å; V46-S49 VanDerWaalsContact O-CB 3.28Å; V46-S49 WeakPolarHBondContact O-CB 3.03Å; V46-S49 PolarHBondContact O-N 3.11Å; V46-A158 HydrophobicContact CG1-CB 4.46Å; V46-A158 HydrophobicContact CG2-CB 4.03Å; V46-V161 HydrophobicContact CB-CG1 3.97Å; V46-V161 HydrophobicContact CG1-CG1 4.25Å; V46-V161 HydrophobicContact CG2-CB 3.96Å; V46-V161 HydrophobicContact CG2-CG1 3.8Å; V46-V161 HydrophobicContact CG2-CG2 4.49Å; V46-R162 HydrophobicContact CG1-CG 3.49Å; V46-R162 VanDerWaalsContact CG1-CG 3.49Å
47	D	95.5	Very high	97.1	Very high	107 Å²	107	60.2 Å²	60.2	57%	0.572	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	45.9	-179.4	-48.9	-28.9	0	0	0	112.8	S49 R162	D47-S49 PolarHBondContact O-N 3.23Å; D47-R162 IonicContact OD1-CZ 2.73Å; D47-R162 IonicContact OD1-NE 3.86Å; D47-R162 PolarHBondContact OD1-NE 3.47Å; D47-R162 IonicContact OD1-NH2 3.28Å; D47-R162 WeakPolarHBondContact OD2-CD 3.36Å; D47-R162 WeakPolarHBondContact OD2-CG 3.29Å; D47-R162 IonicContact OD2-NE 3.98Å; D47-R162 PolarHBondContact OD2-NE 2.73Å
48	S	94.6	Very high	97.3	Very high	105 Å²	105	57.4 Å²	57.4	73%	0.734	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	19.8	-176	-46.6	0	0	0	0	115.2	E45 V46	E45-S48 WeakPolarHBondContact OE1-CA 3.25Å; V46-S48 VanDerWaalsContact C-N 3.29Å; V46-S48 PolarHBondContact O-N 2.74Å
49	S	95.7	Very high	97.1	Very high	56 Å²	56	54.5 Å²	54.5	39%	0.392	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	101.5	179.7	-169.2	0	0	0	0	111.1	V46 D47 S51	V46-S49 PolarHBondContact N-O 2.76Å; V46-S49 WeakPolarHBondContact O-CA 2.95Å; V46-S49 VanDerWaalsContact O-CB 3.28Å; V46-S49 WeakPolarHBondContact O-CB 3.03Å; V46-S49 PolarHBondContact O-N 3.11Å; D47-S49 PolarHBondContact O-N 3.23Å; S49-S51 PolarHBondContact O-N 3.46Å; S49-S51 PolarHBondContact O-OG 3.3Å
50	P	97	Very high	96.5	Very high	69 Å²	69	48.4 Å²	48.4	45%	0.448	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	130.8	175.2	-24.5	34.7	0	0	0	111.4	M1 E45	M1-P50 HydrophobicContact CE-CB 3.74Å; M1-P50 VanDerWaalsContact CG-O 3.24Å; M1-P50 WeakPolarHBondContact CG-O 3.45Å; M1-P50 HydrophobicContact SD-CB 4.32Å; E45-P50 HydrophobicContact CG-CG 4.46Å
51	S	97.5	Very high	95.9	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.007	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	162.4	-174.3	-62.2	0	0	0	0	111.2	M1 R2 Y4 I44 S49	M1-S51 VanDerWaalsContact CG-CA 3.45Å; R2-S51 WeakPolarHBondContact O-CA 3.39Å; Y4-S51 WeakPolarHBondContact CE2-OG 3.23Å; I44-S51 PolarHBondContact N-O 3.16Å; I44-S51 CarbonylContact O-C 3.54Å; I44-S51 PolarHBondContact O-N 3.17Å; S49-S51 PolarHBondContact O-N 3.46Å; S49-S51 PolarHBondContact O-OG 3.3Å
52	V	98.4	Very high	95.1	Very high	7 Å²	7	47.4 Å²	47.4	4%	0.042	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.2	169.6	-177.5	0	0	0	0	108.9	M1 R2 E3 Y4 R41	M1-V52 HydrophobicContact CG-CG2 4.18Å; M1-V52 HydrophobicContact SD-CG2 3.62Å; R2-V52 PolarHBondContact O-N 2.9Å; E3-V52 CarbonylContact C-O 3.6Å; E3-V52 WeakPolarHBondContact CA-O 3.39Å; E3-V52 HydrophobicContact CG-CB 4.18Å; Y4-V52 PolarHBondContact N-O 3.43Å; R41-V52 HydrophobicContact CG-CG1 3.51Å
53	L	98.7	Very high	94.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	115.9	174.1	-172.6	61.1	0	0	0	110.1	V6 F23 R41 K42 I44 I55 F157 V161 M164	V6-L53 HydrophobicContact CB-CD1 4.09Å; V6-L53 HydrophobicContact CG1-CD1 3.66Å; V6-L53 HydrophobicContact CG1-CD2 4.19Å; V6-L53 HydrophobicContact CG1-CG 3.96Å; F23-L53 HydrophobicContact CE1-CD2 4.24Å; R41-L53 WeakPolarHBondContact CA-O 3.37Å; K42-L53 PolarHBondContact N-O 3.39Å; K42-L53 PolarHBondContact O-N 2.96Å; I44-L53 HydrophobicContact CG2-CB 4.04Å; L53-I55 HydrophobicContact CD2-CD1 4.28Å; L53-I55 HydrophobicContact CD2-CG1 4.07Å; L53-I55 HydrophobicContact CG-CD1 4.5Å; L53-I55 HydrophobicContact CG-CG1 3.88Å; L53-F157 HydrophobicContact CD2-CB 4.14Å; L53-F157 HydrophobicContact CD2-CD1 3.81Å; L53-F157 HydrophobicContact CD2-CG 4.42Å; L53-V161 HydrophobicContact CD1-CG2 3.94Å; L53-V161 HydrophobicContact CD2-CG2 4.17Å; L53-M164 HydrophobicContact CD1-CE 4Å
54	E	98.6	Very high	93.8	Very high	53 Å²	53	47.3 Å²	47.3	25%	0.248	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	121.3	165.6	-61.8	-173	159.7	0	0	108.6	Y4 K5 V6 Y40 R41	Y4-E54 PolarHBondContact O-N 3.34Å; K5-E54 CarbonylContact C-O 3.57Å; K5-E54 WeakPolarHBondContact CA-O 3.4Å; K5-E54 WeakPolarHBondContact CE-OE2 3.24Å; K5-E54 HydrophobicContact CG-CB 4.34Å; K5-E54 IonicContact NZ-OE2 3.54Å; K5-E54 PolarHBondContact NZ-OE2 3.28Å; V6-E54 PolarHBondContact N-O 3.38Å; Y40-E54 CarbonylContact O-C 3.6Å; Y40-E54 WeakPolarHBondContact O-CA 3.38Å; R41-E54 HydrophobicContact CG-CG 4.24Å; R41-E54 IonicContact NE-OE1 3.47Å
55	I	98.8	Very high	93	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	118.7	-178.5	-52.4	164.3	0	0	0	107.8	V6 V8 T20 F23 V24 Y40 L53 F157	V6-I55 HydrophobicContact CG1-CB 4.05Å; V6-I55 HydrophobicContact CG1-CG1 3.69Å; V6-I55 HydrophobicContact CG1-CG2 4.05Å; V8-I55 HydrophobicContact CG2-CG2 3.69Å; T20-I55 HydrophobicContact CG2-CB 4.23Å; T20-I55 HydrophobicContact CG2-CD1 4.23Å; T20-I55 HydrophobicContact CG2-CG2 3.67Å; F23-I55 HydrophobicContact CD1-CD1 3.63Å; F23-I55 HydrophobicContact CE1-CD1 3.84Å; V24-I55 HydrophobicContact CG2-CD1 4.07Å; Y40-I55 PolarHBondContact N-O 3.18Å; Y40-I55 PolarHBondContact O-N 3.41Å; L53-I55 HydrophobicContact CD2-CD1 4.28Å; L53-I55 HydrophobicContact CD2-CG1 4.07Å; L53-I55 HydrophobicContact CG-CD1 4.5Å; L53-I55 HydrophobicContact CG-CG1 3.88Å; I55-F157 HydrophobicContact CD1-CD1 3.91Å; I55-F157 HydrophobicContact CD1-CE1 3.59Å; I55-F157 HydrophobicContact CD1-CZ 4.27Å; I55-F157 HydrophobicContact CG1-CD1 4.39Å; I55-F157 HydrophobicContact CG1-CE1 4.07Å; I55-F157 HydrophobicContact CG2-CE1 4.14Å
56	L	98.3	Very high	92.4	Very high	17 Å²	17	46.1 Å²	46.1	9%	0.089	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	104.2	168.9	177.1	53.8	0	0	0	108.9	V6 V7 V8 E37 F39 T58 Y71	V6-L56 PolarHBondContact O-N 3.08Å; V7-L56 HydrophobicContact CG1-CB 4.46Å; V7-L56 HydrophobicContact CG1-CD2 4.22Å; V7-L56 HydrophobicContact CG1-CG 4.29Å; V7-L56 HydrophobicContact CG2-CB 4.3Å; V7-L56 HydrophobicContact CG2-CD2 4.17Å; V8-L56 PolarHBondContact N-O 3.02Å; E37-L56 HydrophobicContact CG-CD1 3.4Å; E37-L56 WeakPolarHBondContact OE1-CD1 3.46Å; F39-L56 HydrophobicContact CD1-CD1 3.95Å; F39-L56 HydrophobicContact CD2-CD1 4.35Å; F39-L56 HydrophobicContact CE1-CB 4.31Å; F39-L56 HydrophobicContact CE1-CD1 3.52Å; F39-L56 HydrophobicContact CE1-CD2 4.36Å; F39-L56 HydrophobicContact CE1-CG 4.27Å; F39-L56 HydrophobicContact CE2-CD1 3.95Å; F39-L56 HydrophobicContact CG-CD1 4.35Å; F39-L56 HydrophobicContact CZ-CD1 3.52Å; L56-T58 HydrophobicContact CD2-CG2 4.46Å; L56-T58 HydrophobicContact CG-CG2 3.94Å; L56-Y71 HydrophobicContact CD2-CD1 3.66Å; L56-Y71 HydrophobicContact CD2-CE1 4.41Å; L56-Y71 HydrophobicContact CD2-CG 3.89Å
57	D	96.4	Very high	92	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	133.4	169.6	-175.3	29.9	0	0	0	109.6	K16 S17 E37 D38 Y40	K16-D57 VanDerWaalsContact CB-OD1 3.3Å; K16-D57 WeakPolarHBondContact CB-OD1 3.37Å; S17-D57 WeakPolarHBondContact CA-OD2 3.33Å; S17-D57 WeakPolarHBondContact CB-OD2 3.4Å; S17-D57 PolarHBondContact OG-OD2 3.09Å; E37-D57 WeakPolarHBondContact CA-O 3.39Å; D38-D57 HydrophobicContact CB-CB 4.41Å; D38-D57 PolarHBondContact N-O 3.1Å; D38-D57 PolarHBondContact O-N 2.92Å; Y40-D57 HydrophobicContact CE2-CB 4.21Å
58	T	95.7	Very high	91.8	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	156.2	-167.2	66.8	0	0	0	0	112.6	V7 V8 L9 K16 L56 G60 Y71	V7-T58 HydrophobicContact CG1-CG2 3.73Å; V8-T58 PolarHBondContact O-OG1 3.01Å; L9-T58 HydrophobicContact CD2-CG2 4.24Å; K16-T58 WeakPolarHBondContact CE-O 3.49Å; K16-T58 PolarHBondContact NZ-O 3.06Å; L56-T58 HydrophobicContact CD2-CG2 4.46Å; L56-T58 HydrophobicContact CG-CG2 3.94Å; T58-G60 PolarHBondContact O-N 3.32Å; T58-Y71 HydrophobicContact CG2-CD2 3.86Å; T58-Y71 HydrophobicContact CG2-CE2 4.22Å; T58-Y71 HydrophobicContact CG2-CG 4.36Å
59	A	92.7	Very high	91.8	Very high	10 Å²	10	43.6 Å²	43.6	8%	0.083	24%	0.243	C	C	.	.			trans	-57.1	136.8	166.8	0	0	0	0	0	111.9	T35 I36 F64	T35-A59 VanDerWaalsContact O-CA 3.24Å; T35-A59 WeakPolarHBondContact O-CA 3.24Å; T35-A59 VanDerWaalsContact O-CB 3.23Å; T35-A59 WeakPolarHBondContact O-CB 3.37Å; I36-A59 VanDerWaalsContact O-CB 3.25Å; I36-A59 WeakPolarHBondContact O-CB 3.5Å; I36-A59 PolarHBondContact O-N 3.15Å; A59-F64 HydrophobicContact CB-CB 3.69Å; A59-F64 HydrophobicContact CB-CD2 3.39Å; A59-F64 HydrophobicContact CB-CE2 4.2Å; A59-F64 HydrophobicContact CB-CG 3.64Å
60	G	84.6	Confident	91.7	Very high	15 Å²	15	45.6 Å²	45.6	16%	0.155	25%	0.249	C	C	.	.			trans	-92.2	9.9	173.1	0	0	0	0	0	114.7	G10 S11 G12 K16 T58	G10-G60 VanDerWaalsContact O-CA 3.25Å; G10-G60 WeakPolarHBondContact O-CA 3.25Å; S11-G60 CarbonylContact C-O 3.6Å; G12-G60 PolarHBondContact N-O 3.48Å; K16-G60 VanDerWaalsContact NZ-CA 3.32Å; T58-G60 PolarHBondContact O-N 3.32Å
61	T	84.8	Confident	91.6	Very high	53 Å²	53	42.8 Å²	42.8	33%	0.325	23%	0.23	S	C	.	.	S	Bend	trans	-108.2	150.2	-174.8	68.5	0	0	0	0	111.5	Q63 F64	T61-Q63 PolarHBondContact O-N 2.81Å; T61-F64 PolarHBondContact O-N 2.88Å; T61-F64 WeakPolarHBondContact OG1-CD2 3.44Å
62	E	82	Confident	91.5	Very high	132 Å²	132	42.8 Å²	42.8	62%	0.617	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-66	-18.5	-178.6	-69.4	-58.6	111.7	0	0	113.6	F64 A65 R68	E62-F64 PolarHBondContact O-N 2.86Å; E62-F64 VanDerWaalsContact O-N 3.16Å; E62-A65 VanDerWaalsContact O-CB 3.25Å; E62-A65 WeakPolarHBondContact O-CB 3.45Å; E62-A65 PolarHBondContact O-N 2.81Å; E62-R68 IonicContact OE1-NH2 3.45Å; E62-R68 PolarHBondContact OE1-NH2 2.92Å; E62-R68 VanDerWaalsContact OE1-NH2 3.14Å
63	Q	84.1	Confident	91.4	Very high	164 Å²	164	49.6 Å²	49.6	77%	0.766	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-58.1	-27.7	174.7	-68	172.1	-5.9	0	0	112.6	T61	T61-Q63 PolarHBondContact O-N 2.81Å
64	F	83.5	Confident	91.2	Very high	45 Å²	45	54.2 Å²	54.2	20%	0.197	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-105.9	8.3	179.4	-60.7	-83.4	0	0	0	113	I36 A59 T61 E62 S66 M67	I36-F64 HydrophobicContact CB-CE1 4.36Å; I36-F64 HydrophobicContact CB-CZ 4.29Å; I36-F64 HydrophobicContact CD1-CZ 4.16Å; I36-F64 HydrophobicContact CG1-CE1 4.24Å; I36-F64 HydrophobicContact CG1-CE2 4.31Å; I36-F64 HydrophobicContact CG1-CZ 3.74Å; I36-F64 HydrophobicContact CG2-CD1 4.04Å; I36-F64 HydrophobicContact CG2-CE1 3.53Å; I36-F64 HydrophobicContact CG2-CZ 3.95Å; A59-F64 HydrophobicContact CB-CB 3.69Å; A59-F64 HydrophobicContact CB-CD2 3.39Å; A59-F64 HydrophobicContact CB-CE2 4.2Å; A59-F64 HydrophobicContact CB-CG 3.64Å; T61-F64 PolarHBondContact O-N 2.88Å; T61-F64 WeakPolarHBondContact OG1-CD2 3.44Å; E62-F64 PolarHBondContact O-N 2.86Å; E62-F64 VanDerWaalsContact O-N 3.16Å; F64-S66 PolarHBondContact O-N 2.84Å; F64-M67 HydrophobicContact CD1-CE 3.49Å; F64-M67 VanDerWaalsContact CD1-CE 3.49Å; F64-M67 HydrophobicContact CD1-SD 4.26Å; F64-M67 HydrophobicContact CE1-CE 4.03Å; F64-M67 PolarHBondContact O-N 2.78Å
65	A	81.3	Confident	91.1	Very high	22 Å²	22	51.9 Å²	51.9	18%	0.182	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-61.4	-28.4	-178.3	0	0	0	0	0	113.1	E62 M67 R68	E62-A65 VanDerWaalsContact O-CB 3.25Å; E62-A65 WeakPolarHBondContact O-CB 3.45Å; E62-A65 PolarHBondContact O-N 2.81Å; A65-M67 PolarHBondContact O-N 2.85Å; A65-R68 VanDerWaalsContact O-CB 3.24Å; A65-R68 WeakPolarHBondContact O-CB 3.28Å; A65-R68 PolarHBondContact O-N 3.21Å; A65-R68 VanDerWaalsContact O-N 3.15Å
66	S	85.4	Confident	91.1	Very high	104 Å²	104	55.8 Å²	55.8	73%	0.727	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-64.9	-24.9	176.7	60.2	0	0	0	0	113.6	F64	F64-S66 PolarHBondContact O-N 2.84Å
67	M	88.8	Confident	91.1	Very high	74 Å²	74	55 Å²	55	37%	0.365	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-85.9	-15.2	176.9	-57.8	-176.6	-143.8	0	0	112.4	F64 A65 D69 L70 Y71	F64-M67 HydrophobicContact CD1-CE 3.49Å; F64-M67 VanDerWaalsContact CD1-CE 3.49Å; F64-M67 HydrophobicContact CD1-SD 4.26Å; F64-M67 HydrophobicContact CE1-CE 4.03Å; F64-M67 PolarHBondContact O-N 2.78Å; A65-M67 PolarHBondContact O-N 2.85Å; M67-D69 VanDerWaalsContact C-N 3.29Å; M67-D69 PolarHBondContact O-N 2.92Å; M67-L70 WeakPolarHBondContact O-CA 3.48Å; M67-L70 WeakPolarHBondContact O-CB 3.28Å; M67-L70 PolarHBondContact O-N 3.39Å; M67-Y71 HydrophobicContact CB-CD2 4.47Å; M67-Y71 HydrophobicContact CB-CE1 4.13Å; M67-Y71 HydrophobicContact CB-CE2 3.66Å; M67-Y71 VanDerWaalsContact CB-CZ 3.49Å; M67-Y71 WeakPolarHBondContact CB-OH 3.38Å; M67-Y71 PolarHBondContact O-N 2.9Å; M67-Y71 PolarHBondContact SD-OH 3.18Å; M67-Y71 VanDerWaalsContact SD-OH 3.38Å
68	R	91.3	Very high	91.2	Very high	22 Å²	22	55 Å²	55	8%	0.083	29%	0.287	C	S	.	.	H	α-helix	trans	-60.3	-36.5	-173.3	-159.8	-174.7	-64.7	147.2	-4.5	112.8	L9 E62 A65 L70 Y71 I72	L9-R68 HydrophobicContact CD2-CG 4.01Å; E62-R68 IonicContact OE1-NH2 3.45Å; E62-R68 PolarHBondContact OE1-NH2 2.92Å; E62-R68 VanDerWaalsContact OE1-NH2 3.14Å; A65-R68 VanDerWaalsContact O-CB 3.24Å; A65-R68 WeakPolarHBondContact O-CB 3.28Å; A65-R68 PolarHBondContact O-N 3.21Å; A65-R68 VanDerWaalsContact O-N 3.15Å; R68-L70 VanDerWaalsContact C-N 3.27Å; R68-L70 PolarHBondContact O-N 3.28Å; R68-Y71 PolarHBondContact O-N 3.16Å; R68-I72 HydrophobicContact CG-CD1 3.86Å; R68-I72 HydrophobicContact CG-CG1 4.38Å; R68-I72 WeakPolarHBondContact O-CB 3.48Å; R68-I72 WeakPolarHBondContact O-CD1 3.48Å; R68-I72 WeakPolarHBondContact O-CG1 3.37Å; R68-I72 PolarHBondContact O-N 2.66Å
69	D	94.1	Very high	91.3	Very high	67 Å²	67	55 Å²	55	36%	0.358	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-35.2	175.4	-83.8	7.4	0	0	0	112	M67 K73 Q99 R102 V103	M67-D69 VanDerWaalsContact C-N 3.29Å; M67-D69 PolarHBondContact O-N 2.92Å; D69-K73 VanDerWaalsContact O-CB 3.23Å; D69-K73 WeakPolarHBondContact O-CB 3.42Å; D69-K73 PolarHBondContact O-N 2.9Å; D69-Q99 PolarHBondContact OD1-NE2 2.97Å; D69-R102 IonicContact OD1-NH2 3.74Å; D69-R102 IonicContact OD2-NH2 2.76Å; D69-V103 HydrophobicContact CB-CG2 4.39Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.46Å
70	L	94.3	Very high	91.6	Very high	99 Å²	99	54.5 Å²	54.5	52%	0.518	28%	0.283	S	S	.	.	H	α-helix	trans	-69.6	-46.1	176.8	-179.2	62.8	0	0	0	111.2	M67 R68 I72 K73 N74	M67-L70 WeakPolarHBondContact O-CA 3.48Å; M67-L70 WeakPolarHBondContact O-CB 3.28Å; M67-L70 PolarHBondContact O-N 3.39Å; R68-L70 VanDerWaalsContact C-N 3.27Å; R68-L70 PolarHBondContact O-N 3.28Å; L70-I72 VanDerWaalsContact C-N 3.32Å; L70-I72 PolarHBondContact O-N 2.65Å; L70-K73 PolarHBondContact O-N 3.42Å; L70-N74 PolarHBondContact O-N 3.22Å; L70-N74 VanDerWaalsContact O-N 3.11Å; L70-N74 PolarHBondContact O-ND2 3.45Å
71	Y	94.7	Very high	92.3	Very high	10 Å²	10	53.8 Å²	53.8	4%	0.039	28%	0.276	C	S	.	.	H	α-helix	trans	-58	-47.6	175.8	-52.6	-32.6	0	0	0	110.8	E37 L56 T58 M67 R68 N74 G75	E37-Y71 VanDerWaalsContact CD-CE1 3.4Å; E37-Y71 HydrophobicContact CG-CE1 4.4Å; E37-Y71 WeakPolarHBondContact OE1-CE1 3.3Å; E37-Y71 WeakPolarHBondContact OE2-CE1 3.33Å; E37-Y71 VanDerWaalsContact OE2-CZ 3.23Å; E37-Y71 PolarHBondContact OE2-OH 2.85Å; L56-Y71 HydrophobicContact CD2-CD1 3.66Å; L56-Y71 HydrophobicContact CD2-CE1 4.41Å; L56-Y71 HydrophobicContact CD2-CG 3.89Å; T58-Y71 HydrophobicContact CG2-CD2 3.86Å; T58-Y71 HydrophobicContact CG2-CE2 4.22Å; T58-Y71 HydrophobicContact CG2-CG 4.36Å; M67-Y71 HydrophobicContact CB-CD2 4.47Å; M67-Y71 HydrophobicContact CB-CE1 4.13Å; M67-Y71 HydrophobicContact CB-CE2 3.66Å; M67-Y71 VanDerWaalsContact CB-CZ 3.49Å; M67-Y71 WeakPolarHBondContact CB-OH 3.38Å; M67-Y71 PolarHBondContact O-N 2.9Å; M67-Y71 PolarHBondContact SD-OH 3.18Å; M67-Y71 VanDerWaalsContact SD-OH 3.38Å; R68-Y71 PolarHBondContact O-N 3.16Å; Y71-N74 PolarHBondContact O-N 3.22Å; Y71-G75 PolarHBondContact O-N 3.14Å
72	I	95.8	Very high	93	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.4	-43.5	179	-66.2	166.8	0	0	0	111.2	L9 R68 L70 N74 G75 F78 Q99 I100 V103 K104	L9-I72 HydrophobicContact CD1-CG1 4.22Å; R68-I72 HydrophobicContact CG-CD1 3.86Å; R68-I72 HydrophobicContact CG-CG1 4.38Å; R68-I72 WeakPolarHBondContact O-CB 3.48Å; R68-I72 WeakPolarHBondContact O-CD1 3.48Å; R68-I72 WeakPolarHBondContact O-CG1 3.37Å; R68-I72 PolarHBondContact O-N 2.66Å; L70-I72 VanDerWaalsContact C-N 3.32Å; L70-I72 PolarHBondContact O-N 2.65Å; I72-N74 PolarHBondContact O-N 2.89Å; I72-G75 PolarHBondContact O-N 2.94Å; I72-F78 HydrophobicContact CB-CE1 4.19Å; I72-F78 HydrophobicContact CB-CZ 4.4Å; I72-F78 HydrophobicContact CG1-CE1 4.04Å; I72-F78 HydrophobicContact CG2-CE1 4.1Å; I72-F78 HydrophobicContact CG2-CZ 3.91Å; I72-F78 WeakPolarHBondContact O-CZ 3.36Å; I72-Q99 HydrophobicContact CD1-CB 4.39Å; I72-Q99 HydrophobicContact CD1-CG 3.78Å; I72-I100 HydrophobicContact CD1-CG1 3.74Å; I72-I100 HydrophobicContact CG1-CG1 3.96Å; I72-I100 HydrophobicContact CG2-CB 4.4Å; I72-I100 HydrophobicContact CG2-CG1 4.31Å; I72-I100 HydrophobicContact CG2-CG2 4.41Å; I72-V103 HydrophobicContact CB-CB 4.36Å; I72-V103 HydrophobicContact CB-CG1 4.1Å; I72-V103 HydrophobicContact CG2-CB 3.6Å; I72-V103 HydrophobicContact CG2-CG1 3.6Å; I72-V103 HydrophobicContact CG2-CG2 4.33Å; I72-K104 HydrophobicContact CG2-CG 4.25Å; I72-K104 WeakPolarHBondContact O-CE 3.46Å; I72-K104 PolarHBondContact O-NZ 2.97Å
73	K	95.4	Very high	93.8	Very high	150 Å²	150	45 Å²	45	65%	0.652	23%	0.231	S	C	*	.	H	α-helix	trans	-57	-41.6	178	-174.5	175.3	-179.6	-178	0	111.4	D69 L70 V103 K104	D69-K73 VanDerWaalsContact O-CB 3.23Å; D69-K73 WeakPolarHBondContact O-CB 3.42Å; D69-K73 PolarHBondContact O-N 2.9Å; L70-K73 PolarHBondContact O-N 3.42Å; K73-V103 HydrophobicContact CB-CG1 4.18Å; K73-K104 PolarHBondContact O-NZ 3.04Å
74	N	95	Very high	94.5	Very high	98 Å²	98	37.3 Å²	37.3	52%	0.524	20%	0.195	S	C	.	.	H	α-helix	trans	-86.3	-24.8	-175	-65.2	-18.6	0	0	0	114.8	L70 Y71 I72	L70-N74 PolarHBondContact O-N 3.22Å; L70-N74 VanDerWaalsContact O-N 3.11Å; L70-N74 PolarHBondContact O-ND2 3.45Å; Y71-N74 PolarHBondContact O-N 3.22Å; I72-N74 PolarHBondContact O-N 2.89Å
75	G	97	Very high	95.2	Very high	3 Å²	3	36.2 Å²	36.2	3%	0.031	19%	0.192	C	C	.	.			trans	-72	145.3	179.8	0	0	0	0	0	113.9	Y71 I72 K104	Y71-G75 PolarHBondContact O-N 3.14Å; I72-G75 PolarHBondContact O-N 2.94Å; G75-K104 WeakPolarHBondContact O-CE 3.38Å; G75-K104 PolarHBondContact O-NZ 3.28Å
76	Q	97	Very high	96	Very high	84 Å²	84	38.4 Å²	38.4	39%	0.393	20%	0.201	S	C	.	.	S	Bend	trans	-97.4	-28.9	174.6	-67.6	169.8	-58.1	0	0	112.5	K5 P110 M164	K5-Q76 HydrophobicContact CB-CG 4.41Å; K5-Q76 WeakPolarHBondContact O-CA 3.23Å; K5-Q76 WeakPolarHBondContact O-CB 3.24Å; K5-Q76 PolarHBondContact O-N 3.47Å; Q76-P110 WeakPolarHBondContact O-CD 3.44Å; Q76-P110 WeakPolarHBondContact O-CG 3.3Å; Q76-M164 HydrophobicContact CB-CG 4.39Å; Q76-M164 HydrophobicContact CB-SD 3.64Å
77	G	98.4	Very high	96.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	160.2	173.8	0	0	0	0	0	112.7	K5 V6 V7 P110 M164	K5-G77 PolarHBondContact O-N 3.36Å; K5-G77 VanDerWaalsContact O-N 3.11Å; V6-G77 CarbonylContact C-O 3.49Å; V6-G77 WeakPolarHBondContact CA-O 3.5Å; V7-G77 PolarHBondContact N-O 2.94Å; G77-P110 CarbonylContact C-O 3.43Å; G77-P110 VanDerWaalsContact CA-O 3.28Å; G77-P110 WeakPolarHBondContact CA-O 3.11Å; G77-M164 PolarHBondContact N-SD 3.18Å; G77-M164 VanDerWaalsContact N-SD 3.39Å
78	F	98.7	Very high	97.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	125.3	-172.6	-59.8	-79.8	0	0	0	111.8	V7 L9 I72 I100 K104 V109 P110 M111 I112	V7-F78 HydrophobicContact CB-CD1 3.98Å; V7-F78 HydrophobicContact CB-CE1 4.03Å; V7-F78 HydrophobicContact CG2-CD1 4.46Å; V7-F78 HydrophobicContact CG2-CE1 4.04Å; V7-F78 WeakPolarHBondContact O-CA 3.04Å; L9-F78 HydrophobicContact CD1-CD1 4.02Å; I72-F78 HydrophobicContact CB-CE1 4.19Å; I72-F78 HydrophobicContact CB-CZ 4.4Å; I72-F78 HydrophobicContact CG1-CE1 4.04Å; I72-F78 HydrophobicContact CG2-CE1 4.1Å; I72-F78 HydrophobicContact CG2-CZ 3.91Å; I72-F78 WeakPolarHBondContact O-CZ 3.36Å; F78-I100 HydrophobicContact CB-CD1 3.93Å; F78-I100 HydrophobicContact CD1-CD1 3.94Å; F78-I100 HydrophobicContact CD1-CG1 4.11Å; F78-I100 HydrophobicContact CD1-CG2 4.41Å; F78-I100 HydrophobicContact CD2-CG2 3.65Å; F78-I100 HydrophobicContact CE1-CG1 4.46Å; F78-I100 HydrophobicContact CE2-CG2 3.79Å; F78-I100 HydrophobicContact CG-CD1 3.87Å; F78-I100 HydrophobicContact CG-CG1 4.28Å; F78-I100 HydrophobicContact CG-CG2 3.99Å; F78-I100 HydrophobicContact CZ-CG2 4.26Å; F78-K104 HydrophobicContact CE2-CD 4.43Å; F78-K104 HydrophobicContact CE2-CG 4.1Å; F78-K104 VanDerWaalsContact CZ-CE 3.46Å; F78-K104 HydrophobicContact CZ-CG 4.37Å; F78-V109 HydrophobicContact CD2-CG1 3.47Å; F78-V109 VanDerWaalsContact CD2-CG1 3.47Å; F78-V109 HydrophobicContact CE2-CG1 3.56Å; F78-P110 PolarHBondContact N-O 3.29Å; F78-M111 HydrophobicContact CB-CE 4.44Å; F78-M111 CarbonylContact O-C 3.58Å; F78-M111 VanDerWaalsContact O-CA 3.25Å; F78-M111 WeakPolarHBondContact O-CA 2.85Å; F78-I112 PolarHBondContact O-N 3.33Å
79	I	98.9	Very high	97.5	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	113.9	168.5	-61.4	172.8	0	0	0	107	V6 V7 V8 L9 V81 I112 V114 L156 F157 I160	V6-I79 HydrophobicContact CG2-CD1 3.84Å; V6-I79 HydrophobicContact CG2-CG1 3.73Å; V7-I79 PolarHBondContact O-N 2.76Å; V8-I79 HydrophobicContact CG1-CB 4.29Å; V8-I79 HydrophobicContact CG1-CG2 4.26Å; V8-I79 HydrophobicContact CG2-CB 4.47Å; V8-I79 HydrophobicContact CG2-CD1 4.34Å; L9-I79 PolarHBondContact N-O 3.23Å; I79-V81 HydrophobicContact CG2-CG2 3.67Å; I79-I112 HydrophobicContact CB-CG2 4.24Å; I79-I112 HydrophobicContact CG1-CG2 3.76Å; I79-I112 HydrophobicContact CG2-CG2 4.26Å; I79-V114 HydrophobicContact CG2-CB 4.49Å; I79-V114 HydrophobicContact CG2-CG2 3.67Å; I79-L156 HydrophobicContact CD1-CD1 4.23Å; I79-L156 HydrophobicContact CD1-CG 4.27Å; I79-L156 HydrophobicContact CG1-CD1 4.33Å; I79-L156 HydrophobicContact CG2-CD1 4.06Å; I79-L156 HydrophobicContact CG2-CD2 4.29Å; I79-F157 HydrophobicContact CD1-CD1 3.89Å; I79-F157 HydrophobicContact CD1-CE1 3.63Å; I79-F157 HydrophobicContact CD1-CZ 4.23Å; I79-I160 HydrophobicContact CD1-CG2 4.15Å; I79-I160 HydrophobicContact CG1-CB 4.25Å; I79-I160 HydrophobicContact CG1-CG1 4.09Å; I79-I160 HydrophobicContact CG1-CG2 4.4Å
80	L	98.8	Very high	97.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	110.7	176.2	-77.8	153.5	0	0	0	109.2	L9 I93 M96 R97 I100 M111 I112 L113 V114 W138	L9-L80 HydrophobicContact CB-CD2 4.17Å; L80-I93 HydrophobicContact CD2-CB 4.45Å; L80-M96 HydrophobicContact CD2-CB 3.95Å; L80-R97 HydrophobicContact CD1-CB 3.98Å; L80-R97 HydrophobicContact CD1-CG 4.32Å; L80-I100 HydrophobicContact CD1-CD1 4.03Å; L80-I100 HydrophobicContact CD2-CD1 4.05Å; L80-I100 HydrophobicContact CG-CD1 4.18Å; L80-M111 HydrophobicContact CD1-CE 3.71Å; L80-M111 HydrophobicContact CD1-CG 3.78Å; L80-M111 HydrophobicContact CD1-SD 3.33Å; L80-M111 WeakPolarHBondContact CD1-SD 3.5Å; L80-I112 PolarHBondContact N-O 3.25Å; L80-L113 HydrophobicContact CB-CD1 4.37Å; L80-V114 PolarHBondContact O-N 3.32Å; L80-W138 HydrophobicContact CD1-CH2 4.38Å; L80-W138 HydrophobicContact CD1-CZ3 3.77Å
81	V	98.9	Very high	97.9	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.2	-174.3	-168.6	0	0	0	0	110.2	V8 L9 G10 V14 K16 L19 I79 V114 N116	V8-V81 HydrophobicContact CG1-CG2 3.75Å; L9-V81 PolarHBondContact O-N 3.29Å; G10-V81 VanDerWaalsContact CA-O 3.32Å; G10-V81 WeakPolarHBondContact CA-O 3.48Å; V14-V81 HydrophobicContact CB-CG1 4.25Å; V14-V81 HydrophobicContact CG2-CB 3.94Å; V14-V81 HydrophobicContact CG2-CG1 3.82Å; K16-V81 HydrophobicContact CG-CB 4.19Å; K16-V81 HydrophobicContact CG-CG2 4.26Å; L19-V81 HydrophobicContact CD1-CG1 4.01Å; L19-V81 HydrophobicContact CD1-CG2 4.15Å; I79-V81 HydrophobicContact CG2-CG2 3.67Å; V81-V114 WeakPolarHBondContact CA-O 3.3Å; V81-V114 HydrophobicContact CG1-CG1 4.46Å; V81-V114 HydrophobicContact CG2-CB 4.33Å; V81-N116 HydrophobicContact CG1-CB 3.79Å
82	Y	98.9	Very high	98	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	165.3	162.7	70.8	-84.9	0	0	0	109.8	L84 F90 L113 V114 G115 N116 V126 G131 F142	Y82-L84 HydrophobicContact CE2-CD2 3.7Å; Y82-F90 AromaticContact CD1-CD2 3.87Å; Y82-F90 HydrophobicContact CD1-CD2 3.87Å; Y82-F90 HydrophobicContact CD2-CB 3.81Å; Y82-F90 AromaticContact CD2-CD2 3.79Å; Y82-F90 HydrophobicContact CD2-CD2 3.79Å; Y82-F90 HydrophobicContact CD2-CG 4.23Å; Y82-F90 AromaticContact CE1-CD2 3.82Å; Y82-F90 HydrophobicContact CE1-CD2 3.82Å; Y82-F90 HydrophobicContact CE1-CE2 4.14Å; Y82-F90 HydrophobicContact CE2-CB 4.35Å; Y82-F90 AromaticContact CE2-CD2 3.74Å; Y82-F90 HydrophobicContact CE2-CD2 3.74Å; Y82-F90 HydrophobicContact CE2-CE2 4.47Å; Y82-F90 HydrophobicContact CE2-CG 4.36Å; Y82-F90 HydrophobicContact CG-CB 4.14Å; Y82-F90 AromaticContact CG-CD2 3.85Å; Y82-F90 HydrophobicContact CG-CD2 3.85Å; Y82-F90 AromaticContact CZ-CD2 3.76Å; Y82-L113 HydrophobicContact CD1-CD1 3.8Å; Y82-L113 HydrophobicContact CD1-CG 4.45Å; Y82-L113 HydrophobicContact CE1-CD1 3.87Å; Y82-L113 HydrophobicContact CE1-CD2 4.39Å; Y82-L113 HydrophobicContact CE1-CG 4.02Å; Y82-V114 WeakPolarHBondContact CD1-O 3.37Å; Y82-V114 PolarHBondContact N-O 3.38Å; Y82-G115 VanDerWaalsContact CZ-CA 3.44Å; Y82-N116 PolarHBondContact O-N 3.21Å; Y82-V126 HydrophobicContact CD2-CB 4.49Å; Y82-V126 HydrophobicContact CD2-CG1 4.47Å; Y82-V126 HydrophobicContact CD2-CG2 4.12Å; Y82-V126 HydrophobicContact CE2-CB 3.83Å; Y82-V126 HydrophobicContact CE2-CG1 3.59Å; Y82-V126 HydrophobicContact CE2-CG2 3.95Å; Y82-G131 WeakPolarHBondContact OH-CA 3.4Å; Y82-F142 HydrophobicContact CE1-CE2 4.17Å; Y82-F142 WeakPolarHBondContact OH-CE2 3.38Å
83	S	98.8	Very high	98.1	Very high	2 Å²	2	35 Å²	35	1%	0.014	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.6	175.4	-160	0	0	0	0	109.5	V85 N86 S89 K117	S83-V85 PolarHBondContact O-N 2.98Å; S83-V85 VanDerWaalsContact O-N 3.16Å; S83-V85 WeakPolarHBondContact OG-CG2 3.25Å; S83-N86 PolarHBondContact O-N 3.31Å; S83-N86 VanDerWaalsContact O-N 3.08Å; S83-S89 PolarHBondContact N-OG 2.88Å; S83-K117 WeakPolarHBondContact OG-CD 3.46Å; S83-K117 WeakPolarHBondContact OG-CE 3.35Å; S83-K117 PolarHBondContact OG-NZ 3.36Å
84	L	98.9	Very high	98.2	Very high	2 Å²	2	31 Å²	31	1%	0.01	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-23.5	176.2	-65.2	174.4	0	0	0	112.8	Y82 N116 V118 E125 V126 E144	Y82-L84 HydrophobicContact CE2-CD2 3.7Å; L84-N116 WeakPolarHBondContact CG-O 3.25Å; L84-N116 PolarHBondContact N-O 3.16Å; L84-V118 HydrophobicContact CD1-CB 3.76Å; L84-V118 HydrophobicContact CD1-CG2 4.16Å; L84-E125 PolarHBondContact O-N 2.94Å; L84-V126 PolarHBondContact O-N 3.32Å; L84-E144 HydrophobicContact CD1-CB 4.4Å; L84-E144 HydrophobicContact CD1-CG 4.22Å; L84-E144 HydrophobicContact CD2-CG 4.33Å; L84-E144 WeakPolarHBondContact CD2-OE1 3.43Å
85	V	98.7	Very high	98.2	Very high	21 Å²	21	30 Å²	30	13%	0.127	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	20.8	178.2	-51.2	0	0	0	0	113.2	S83 K117 L120 E123	S83-V85 PolarHBondContact O-N 2.98Å; S83-V85 VanDerWaalsContact O-N 3.16Å; S83-V85 WeakPolarHBondContact OG-CG2 3.25Å; V85-K117 HydrophobicContact CG2-CD 4.1Å; V85-L120 HydrophobicContact CG1-CB 3.56Å; V85-L120 HydrophobicContact CG1-CD1 4.21Å; V85-L120 HydrophobicContact CG2-CD1 4.06Å; V85-E123 WeakPolarHBondContact CA-O 3.28Å; V85-E123 HydrophobicContact CB-CB 4.15Å; V85-E123 WeakPolarHBondContact CB-O 3.49Å; V85-E123 HydrophobicContact CG1-CB 3.68Å; V85-E123 WeakPolarHBondContact CG1-O 3.4Å
86	N	98.6	Very high	98.2	Very high	68 Å²	68	30.2 Å²	30.2	36%	0.364	15%	0.153	S	C	.	.			trans	-149.9	97.7	176.2	-174.4	-47.5	0	0	0	110.7	S83 Q88 S89 E125	S83-N86 PolarHBondContact O-N 3.31Å; S83-N86 VanDerWaalsContact O-N 3.08Å; N86-Q88 VanDerWaalsContact C-N 3.26Å; N86-Q88 PolarHBondContact O-N 2.92Å; N86-Q88 WeakPolarHBondContact OD1-CA 3.32Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.34Å; N86-Q88 PolarHBondContact OD1-N 3.14Å; N86-Q88 VanDerWaalsContact OD1-N 3.09Å; N86-S89 PolarHBondContact O-N 2.94Å; N86-S89 PolarHBondContact O-OG 2.9Å; N86-S89 PolarHBondContact OD1-N 2.89Å; N86-E125 WeakPolarHBondContact CA-OE2 3.27Å
87	Q	98.6	Very high	98.1	Very high	58 Å²	58	29 Å²	29	27%	0.271	15%	0.145	S	C	.	.	H	α-helix	trans	-59.3	-35.4	-179.8	-174.2	65.3	13.4	0	0	112.5	S89 F90 Q91 E125	Q87-S89 VanDerWaalsContact C-N 3.32Å; Q87-S89 PolarHBondContact O-N 2.98Å; Q87-F90 WeakPolarHBondContact O-CB 3.48Å; Q87-F90 PolarHBondContact O-N 2.94Å; Q87-F90 VanDerWaalsContact O-N 3.16Å; Q87-Q91 PolarHBondContact O-N 2.93Å; Q87-E125 HydrophobicContact CB-CB 4.26Å; Q87-E125 PolarHBondContact N-OE2 3.36Å; Q87-E125 PolarHBondContact OE1-O 3.05Å
88	Q	98.6	Very high	98	Very high	115 Å²	115	33.3 Å²	33.3	54%	0.537	17%	0.167	S	C	.	.	H	α-helix	trans	-62.9	-41.6	179.1	-174.4	60.2	53.8	0	0	111	N86 F90 Q91 D92	N86-Q88 VanDerWaalsContact C-N 3.26Å; N86-Q88 PolarHBondContact O-N 2.92Å; N86-Q88 WeakPolarHBondContact OD1-CA 3.32Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.34Å; N86-Q88 PolarHBondContact OD1-N 3.14Å; N86-Q88 VanDerWaalsContact OD1-N 3.09Å; Q88-F90 PolarHBondContact O-N 2.9Å; Q88-Q91 WeakPolarHBondContact O-CA 3.46Å; Q88-Q91 PolarHBondContact O-N 2.59Å; Q88-D92 PolarHBondContact NE2-OD1 3.47Å; Q88-D92 PolarHBondContact O-N 2.81Å
89	S	98.6	Very high	97.9	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-61.3	-29.3	177	75.4	0	0	0	0	113.1	S83 N86 Q87 I93	S83-S89 PolarHBondContact N-OG 2.88Å; N86-S89 PolarHBondContact O-N 2.94Å; N86-S89 PolarHBondContact O-OG 2.9Å; N86-S89 PolarHBondContact OD1-N 2.89Å; Q87-S89 VanDerWaalsContact C-N 3.32Å; Q87-S89 PolarHBondContact O-N 2.98Å; S89-I93 WeakPolarHBondContact O-CG2 3.44Å; S89-I93 PolarHBondContact O-N 3.28Å
90	F	98.8	Very high	97.7	Very high	9 Å²	9	34.3 Å²	34.3	4%	0.039	17%	0.172	C	C	.	.	H	α-helix	trans	-74.6	-28	173.1	179.7	-110.4	0	0	0	112.9	Y82 Q87 Q88 I93 V126 E130 L134	Y82-F90 AromaticContact CD1-CD2 3.87Å; Y82-F90 HydrophobicContact CD1-CD2 3.87Å; Y82-F90 HydrophobicContact CD2-CB 3.81Å; Y82-F90 AromaticContact CD2-CD2 3.79Å; Y82-F90 HydrophobicContact CD2-CD2 3.79Å; Y82-F90 HydrophobicContact CD2-CG 4.23Å; Y82-F90 AromaticContact CE1-CD2 3.82Å; Y82-F90 HydrophobicContact CE1-CD2 3.82Å; Y82-F90 HydrophobicContact CE1-CE2 4.14Å; Y82-F90 HydrophobicContact CE2-CB 4.35Å; Y82-F90 AromaticContact CE2-CD2 3.74Å; Y82-F90 HydrophobicContact CE2-CD2 3.74Å; Y82-F90 HydrophobicContact CE2-CE2 4.47Å; Y82-F90 HydrophobicContact CE2-CG 4.36Å; Y82-F90 HydrophobicContact CG-CB 4.14Å; Y82-F90 AromaticContact CG-CD2 3.85Å; Y82-F90 HydrophobicContact CG-CD2 3.85Å; Y82-F90 AromaticContact CZ-CD2 3.76Å; Q87-F90 WeakPolarHBondContact O-CB 3.48Å; Q87-F90 PolarHBondContact O-N 2.94Å; Q87-F90 VanDerWaalsContact O-N 3.16Å; Q88-F90 PolarHBondContact O-N 2.9Å; F90-I93 HydrophobicContact CD2-CD1 4.4Å; F90-I93 WeakPolarHBondContact O-CD1 3.41Å; F90-I93 VanDerWaalsContact O-CG1 3.22Å; F90-I93 WeakPolarHBondContact O-CG1 3.46Å; F90-V126 HydrophobicContact CB-CG1 4.44Å; F90-V126 HydrophobicContact CB-CG2 3.69Å; F90-V126 HydrophobicContact CD1-CG1 4.15Å; F90-V126 HydrophobicContact CD2-CG1 4.05Å; F90-V126 HydrophobicContact CE1-CG1 4.42Å; F90-V126 HydrophobicContact CE2-CG1 4.31Å; F90-V126 HydrophobicContact CG-CG1 3.96Å; F90-V126 HydrophobicContact CG-CG2 4.1Å; F90-V126 HydrophobicContact CZ-CG1 4.49Å; F90-E130 HydrophobicContact CE1-CB 4.19Å; F90-E130 HydrophobicContact CZ-CB 4.12Å; F90-L134 HydrophobicContact CD2-CD2 4.32Å; F90-L134 HydrophobicContact CE2-CB 4.26Å; F90-L134 HydrophobicContact CE2-CD2 3.48Å; F90-L134 VanDerWaalsContact CE2-CD2 3.48Å; F90-L134 HydrophobicContact CZ-CB 4Å; F90-L134 HydrophobicContact CZ-CD2 3.64Å; F90-L134 HydrophobicContact CZ-CG 4.42Å
91	Q	98.6	Very high	97.6	Very high	70 Å²	70	36.9 Å²	36.9	33%	0.327	19%	0.185	S	C	.	.	H	α-helix	trans	-76.4	-39.3	171	-57.2	-52.9	-42.1	0	0	111.4	Q87 Q88 I93 K94 P95	Q87-Q91 PolarHBondContact O-N 2.93Å; Q88-Q91 WeakPolarHBondContact O-CA 3.46Å; Q88-Q91 PolarHBondContact O-N 2.59Å; Q91-I93 VanDerWaalsContact C-N 3.29Å; Q91-I93 PolarHBondContact O-N 2.92Å; Q91-K94 PolarHBondContact O-N 3.29Å; Q91-P95 WeakPolarHBondContact O-CD 3.37Å
92	D	97	Very high	97.4	Very high	51 Å²	51	44.1 Å²	44.1	27%	0.273	21%	0.212	S	C	.	.	H	α-helix	trans	-65.4	-28	-176.4	-64.4	-17.3	0	0	0	113.6	S11 Q88 K94 P95 M96	S11-D92 WeakPolarHBondContact OG-CB 3.45Å; S11-D92 PolarHBondContact OG-OD2 3.43Å; Q88-D92 PolarHBondContact NE2-OD1 3.47Å; Q88-D92 PolarHBondContact O-N 2.81Å; D92-K94 PolarHBondContact O-N 3.4Å; D92-P95 VanDerWaalsContact O-CD 3.28Å; D92-P95 WeakPolarHBondContact O-CD 3.17Å; D92-P95 VanDerWaalsContact O-CG 3.3Å; D92-P95 WeakPolarHBondContact O-CG 3.36Å; D92-M96 HydrophobicContact CB-CE 4.49Å; D92-M96 WeakPolarHBondContact O-CG 3.42Å
93	I	97.2	Very high	97.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-69.1	-20	178.9	50.9	77.7	0	0	0	113.3	L80 S89 F90 Q91 M96 R97 L113 L134 W138	L80-I93 HydrophobicContact CD2-CB 4.45Å; S89-I93 WeakPolarHBondContact O-CG2 3.44Å; S89-I93 PolarHBondContact O-N 3.28Å; F90-I93 HydrophobicContact CD2-CD1 4.4Å; F90-I93 WeakPolarHBondContact O-CD1 3.41Å; F90-I93 VanDerWaalsContact O-CG1 3.22Å; F90-I93 WeakPolarHBondContact O-CG1 3.46Å; Q91-I93 VanDerWaalsContact C-N 3.29Å; Q91-I93 PolarHBondContact O-N 2.92Å; I93-M96 PolarHBondContact O-N 3.19Å; I93-R97 PolarHBondContact O-N 2.82Å; I93-L113 HydrophobicContact CD1-CD1 4.21Å; I93-L134 HydrophobicContact CD1-CD2 3.45Å; I93-L134 VanDerWaalsContact CD1-CD2 3.45Å; I93-W138 HydrophobicContact CD1-CH2 3.38Å; I93-W138 HydrophobicContact CD1-CZ2 4.04Å; I93-W138 HydrophobicContact CD1-CZ3 4.2Å
94	K	98.3	Very high	97	Very high	67 Å²	67	47 Å²	47	29%	0.291	23%	0.228	S	C	.	.	H	α-helix	trans	-67.8	-53.9	-177.9	-58.5	174.7	-177.5	171.3	0	112.2	Q91 D92 M96 R97 D98 L134 W138	Q91-K94 PolarHBondContact O-N 3.29Å; D92-K94 PolarHBondContact O-N 3.4Å; K94-M96 PolarHBondContact O-N 2.87Å; K94-R97 WeakPolarHBondContact O-CB 3.43Å; K94-R97 PolarHBondContact O-N 3.14Å; K94-R97 VanDerWaalsContact O-N 3.1Å; K94-D98 PolarHBondContact O-N 3.28Å; K94-L134 HydrophobicContact CG-CD2 4.41Å; K94-W138 HydrophobicContact CB-CZ2 4.44Å; K94-W138 HydrophobicContact CG-CZ2 4.14Å
95	P	95.7	Very high	96.4	Very high	78 Å²	78	57.6 Å²	57.6	51%	0.506	27%	0.268	S	S	.	.	H	α-helix	trans	-63.4	-28.4	173.7	24.6	-34.6	0	0	0	112.9	Q91 D92 D98 Q99	Q91-P95 WeakPolarHBondContact O-CD 3.37Å; D92-P95 VanDerWaalsContact O-CD 3.28Å; D92-P95 WeakPolarHBondContact O-CD 3.17Å; D92-P95 VanDerWaalsContact O-CG 3.3Å; D92-P95 WeakPolarHBondContact O-CG 3.36Å; P95-D98 PolarHBondContact O-N 2.92Å; P95-Q99 WeakPolarHBondContact O-CB 3.48Å; P95-Q99 PolarHBondContact O-N 3.44Å
96	M	95.4	Very high	95.6	Very high	7 Å²	7	64 Å²	64	3%	0.034	29%	0.291	C	S	.	.	H	α-helix	trans	-65.1	-42.9	172.4	-63.8	-173.8	-163.7	0	0	111.5	L9 L80 D92 I93 K94 Q99 I100	L9-M96 HydrophobicContact CB-SD 4.5Å; L80-M96 HydrophobicContact CD2-CB 3.95Å; D92-M96 HydrophobicContact CB-CE 4.49Å; D92-M96 WeakPolarHBondContact O-CG 3.42Å; I93-M96 PolarHBondContact O-N 3.19Å; K94-M96 PolarHBondContact O-N 2.87Å; M96-Q99 WeakPolarHBondContact O-CB 3.38Å; M96-Q99 PolarHBondContact O-N 3.37Å; M96-I100 WeakPolarHBondContact O-CG1 3.42Å; M96-I100 PolarHBondContact O-N 3.32Å
97	R	96.6	Very high	94.5	Very high	59 Å²	59	69.4 Å²	69.4	22%	0.223	31%	0.314	C	S	.	.	H	α-helix	trans	-60.3	-44.9	173.2	179.4	-91.1	175.5	-160.8	2.6	111.4	L80 I93 K94 Q99 I100 I101 M111 W138	L80-R97 HydrophobicContact CD1-CB 3.98Å; L80-R97 HydrophobicContact CD1-CG 4.32Å; I93-R97 PolarHBondContact O-N 2.82Å; K94-R97 WeakPolarHBondContact O-CB 3.43Å; K94-R97 PolarHBondContact O-N 3.14Å; K94-R97 VanDerWaalsContact O-N 3.1Å; R97-Q99 VanDerWaalsContact C-N 3.29Å; R97-Q99 PolarHBondContact O-N 3.07Å; R97-I100 WeakPolarHBondContact O-CB 3.49Å; R97-I100 PolarHBondContact O-N 3.12Å; R97-I100 VanDerWaalsContact O-N 3.08Å; R97-I101 VanDerWaalsContact CZ-CG1 3.43Å; R97-I101 PolarHBondContact O-N 2.89Å; R97-M111 HydrophobicContact CG-CE 4.05Å; R97-M111 HydrophobicContact CG-SD 3.88Å; R97-W138 HydrophobicContact CB-CE3 4.48Å; R97-W138 HydrophobicContact CB-CH2 3.49Å; R97-W138 VanDerWaalsContact CB-CH2 3.49Å; R97-W138 HydrophobicContact CB-CZ2 3.66Å; R97-W138 HydrophobicContact CB-CZ3 3.96Å; R97-W138 HydrophobicContact CG-CD2 3.87Å; R97-W138 HydrophobicContact CG-CE3 3.97Å; R97-W138 HydrophobicContact CG-CH2 3.84Å; R97-W138 HydrophobicContact CG-CZ2 3.8Å; R97-W138 HydrophobicContact CG-CZ3 3.96Å
98	D	95.8	Very high	93.9	Very high	89 Å²	89	71.9 Å²	71.9	48%	0.476	32%	0.321	S	S	.	.	H	α-helix	trans	-64.4	-36.7	179.3	-66.9	-23.7	0	0	0	112.2	K94 P95 I101 R102	K94-D98 PolarHBondContact O-N 3.28Å; P95-D98 PolarHBondContact O-N 2.92Å; D98-I101 PolarHBondContact O-N 2.82Å; D98-R102 WeakPolarHBondContact O-CB 3.22Å; D98-R102 PolarHBondContact O-N 3.4Å
99	Q	95.4	Very high	93.7	Very high	24 Å²	24	67.2 Å²	67.2	11%	0.112	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-41.6	171.8	-175.4	170.6	3.5	0	0	111.8	D69 I72 P95 M96 R97 R102 V103	D69-Q99 PolarHBondContact OD1-NE2 2.97Å; I72-Q99 HydrophobicContact CD1-CB 4.39Å; I72-Q99 HydrophobicContact CD1-CG 3.78Å; P95-Q99 WeakPolarHBondContact O-CB 3.48Å; P95-Q99 PolarHBondContact O-N 3.44Å; M96-Q99 WeakPolarHBondContact O-CB 3.38Å; M96-Q99 PolarHBondContact O-N 3.37Å; R97-Q99 VanDerWaalsContact C-N 3.29Å; R97-Q99 PolarHBondContact O-N 3.07Å; Q99-R102 PolarHBondContact O-N 3.01Å; Q99-V103 VanDerWaalsContact O-CG2 3.3Å; Q99-V103 WeakPolarHBondContact O-CG2 3.43Å; Q99-V103 PolarHBondContact O-N 2.92Å
100	I	96.5	Very high	93.7	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.4	-52	175.6	-68	162.3	0	0	0	111	L9 I72 F78 L80 M96 R97 R102 V103 K104 V109 M111	L9-I100 HydrophobicContact CD1-CD1 3.72Å; L9-I100 HydrophobicContact CD1-CG1 4.06Å; I72-I100 HydrophobicContact CD1-CG1 3.74Å; I72-I100 HydrophobicContact CG1-CG1 3.96Å; I72-I100 HydrophobicContact CG2-CB 4.4Å; I72-I100 HydrophobicContact CG2-CG1 4.31Å; I72-I100 HydrophobicContact CG2-CG2 4.41Å; F78-I100 HydrophobicContact CB-CD1 3.93Å; F78-I100 HydrophobicContact CD1-CD1 3.94Å; F78-I100 HydrophobicContact CD1-CG1 4.11Å; F78-I100 HydrophobicContact CD1-CG2 4.41Å; F78-I100 HydrophobicContact CD2-CG2 3.65Å; F78-I100 HydrophobicContact CE1-CG1 4.46Å; F78-I100 HydrophobicContact CE2-CG2 3.79Å; F78-I100 HydrophobicContact CG-CD1 3.87Å; F78-I100 HydrophobicContact CG-CG1 4.28Å; F78-I100 HydrophobicContact CG-CG2 3.99Å; F78-I100 HydrophobicContact CZ-CG2 4.26Å; L80-I100 HydrophobicContact CD1-CD1 4.03Å; L80-I100 HydrophobicContact CD2-CD1 4.05Å; L80-I100 HydrophobicContact CG-CD1 4.18Å; M96-I100 WeakPolarHBondContact O-CG1 3.42Å; M96-I100 PolarHBondContact O-N 3.32Å; R97-I100 WeakPolarHBondContact O-CB 3.49Å; R97-I100 PolarHBondContact O-N 3.12Å; R97-I100 VanDerWaalsContact O-N 3.08Å; I100-R102 VanDerWaalsContact C-N 3.35Å; I100-R102 PolarHBondContact O-N 2.78Å; I100-V103 PolarHBondContact O-N 2.81Å; I100-K104 HydrophobicContact CG2-CG 4.39Å; I100-K104 WeakPolarHBondContact O-CB 3.4Å; I100-K104 PolarHBondContact O-N 3.05Å; I100-V109 HydrophobicContact CG2-CG1 3.73Å; I100-M111 HydrophobicContact CB-CE 4.08Å; I100-M111 HydrophobicContact CD1-CE 3.74Å; I100-M111 HydrophobicContact CG2-CE 3.7Å
101	I	95.9	Very high	93.7	Very high	54 Å²	54	67.7 Å²	67.7	28%	0.277	30%	0.303	S	S	.	.	H	α-helix	trans	-60.8	-45.4	-179.3	-61	-50.5	0	0	0	111.1	R97 D98 V103 K104 R105 V109	R97-I101 VanDerWaalsContact CZ-CG1 3.43Å; R97-I101 PolarHBondContact O-N 2.89Å; D98-I101 PolarHBondContact O-N 2.82Å; I101-V103 VanDerWaalsContact C-N 3.34Å; I101-V103 PolarHBondContact O-N 2.96Å; I101-K104 PolarHBondContact O-N 3.04Å; I101-R105 PolarHBondContact O-N 2.77Å; I101-V109 HydrophobicContact CD1-CB 4.16Å; I101-V109 HydrophobicContact CD1-CG2 3.84Å
102	R	94.9	Very high	93.7	Very high	151 Å²	151	64.4 Å²	64.4	57%	0.57	29%	0.288	S	S	*	.	H	α-helix	trans	-58.6	-43.4	178.9	-176.3	-173.3	71.3	-150	4.8	112.7	D69 D98 Q99 I100 R105	D69-R102 IonicContact OD1-NH2 3.74Å; D69-R102 IonicContact OD2-NH2 2.76Å; D98-R102 WeakPolarHBondContact O-CB 3.22Å; D98-R102 PolarHBondContact O-N 3.4Å; Q99-R102 PolarHBondContact O-N 3.01Å; I100-R102 VanDerWaalsContact C-N 3.35Å; I100-R102 PolarHBondContact O-N 2.78Å; R102-R105 WeakPolarHBondContact O-CG 3.18Å
103	V	95.8	Very high	93.8	Very high	37 Å²	37	62 Å²	62	22%	0.224	28%	0.275	C	S	.	.	H	α-helix	trans	-76.4	-39.1	-178	172.8	0	0	0	0	111.2	D69 I72 K73 Q99 I100 I101	D69-V103 HydrophobicContact CB-CG2 4.39Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.46Å; I72-V103 HydrophobicContact CB-CB 4.36Å; I72-V103 HydrophobicContact CB-CG1 4.1Å; I72-V103 HydrophobicContact CG2-CB 3.6Å; I72-V103 HydrophobicContact CG2-CG1 3.6Å; I72-V103 HydrophobicContact CG2-CG2 4.33Å; K73-V103 HydrophobicContact CB-CG1 4.18Å; Q99-V103 VanDerWaalsContact O-CG2 3.3Å; Q99-V103 WeakPolarHBondContact O-CG2 3.43Å; Q99-V103 PolarHBondContact O-N 2.92Å; I100-V103 PolarHBondContact O-N 2.81Å; I101-V103 VanDerWaalsContact C-N 3.34Å; I101-V103 PolarHBondContact O-N 2.96Å
104	K	94	Very high	93.9	Very high	27 Å²	27	62 Å²	62	12%	0.117	28%	0.275	C	S	.	.	H	α-helix	trans	-76	-37.4	-176.6	-77.8	-65.1	-177.5	-158	0	114.7	I72 K73 G75 F78 I100 I101 Y106 V109	I72-K104 HydrophobicContact CG2-CG 4.25Å; I72-K104 WeakPolarHBondContact O-CE 3.46Å; I72-K104 PolarHBondContact O-NZ 2.97Å; K73-K104 PolarHBondContact O-NZ 3.04Å; G75-K104 WeakPolarHBondContact O-CE 3.38Å; G75-K104 PolarHBondContact O-NZ 3.28Å; F78-K104 HydrophobicContact CE2-CD 4.43Å; F78-K104 HydrophobicContact CE2-CG 4.1Å; F78-K104 VanDerWaalsContact CZ-CE 3.46Å; F78-K104 HydrophobicContact CZ-CG 4.37Å; I100-K104 HydrophobicContact CG2-CG 4.39Å; I100-K104 WeakPolarHBondContact O-CB 3.4Å; I100-K104 PolarHBondContact O-N 3.05Å; I101-K104 PolarHBondContact O-N 3.04Å; K104-Y106 HydrophobicContact CB-CD2 4.09Å; K104-Y106 HydrophobicContact CD-CD2 4.11Å; K104-Y106 HydrophobicContact CD-CE2 4.04Å; K104-Y106 PolarHBondContact O-N 2.85Å; K104-Y106 VanDerWaalsContact O-N 3.08Å; K104-V109 HydrophobicContact CB-CG2 3.65Å; K104-V109 HydrophobicContact CG-CG1 4.1Å; K104-V109 HydrophobicContact CG-CG2 4.12Å
105	R	86.6	Confident	93.9	Very high	223 Å²	223	58.8 Å²	58.8	84%	0.842	26%	0.261	S	S	*	.			trans	55.6	22.5	179.4	-50.6	-179.3	178	-172	-1.7	114.4	I101 R102	I101-R105 PolarHBondContact O-N 2.77Å; R102-R105 WeakPolarHBondContact O-CG 3.18Å
106	Y	80.1	Confident	94	Very high	156 Å²	156	55.2 Å²	55.2	61%	0.612	24%	0.238	S	C	*	.			trans	-98.8	148.4	173.1	-59.9	-48.1	0	0	0	109.6	K104 R108	K104-Y106 HydrophobicContact CB-CD2 4.09Å; K104-Y106 HydrophobicContact CD-CD2 4.11Å; K104-Y106 HydrophobicContact CD-CE2 4.04Å; K104-Y106 PolarHBondContact O-N 2.85Å; K104-Y106 VanDerWaalsContact O-N 3.08Å; Y106-R108 VanDerWaalsContact C-N 3.28Å; Y106-R108 PolarHBondContact O-N 2.89Å
107	E	77.3	Confident	94.2	Very high	182 Å²	182	57.5 Å²	57.5	85%	0.85	25%	0.247	S	C	*	.	S	Bend	trans	-60.4	-41.1	177.1	-63.7	-170.5	178.8	0	0	111.3
108	R	85.6	Confident	94.3	Very high	110 Å²	110	56.7 Å²	56.7	42%	0.415	25%	0.249	S	C	.	.	S	Bend	trans	-123.6	121.8	174.8	-169.3	168.8	178	163.3	-6.2	111.3	Y106 Y166	Y106-R108 VanDerWaalsContact C-N 3.28Å; Y106-R108 PolarHBondContact O-N 2.89Å; R108-Y166 VanDerWaalsContact CZ-CD1 3.48Å
109	V	94.7	Very high	94.4	Very high	16 Å²	16	54.7 Å²	54.7	10%	0.097	24%	0.238	C	C	.	.			trans	-107	122.8	175.2	-179.5	0	0	0	0	108.6	F78 I100 I101 K104 M111	F78-V109 HydrophobicContact CD2-CG1 3.47Å; F78-V109 VanDerWaalsContact CD2-CG1 3.47Å; F78-V109 HydrophobicContact CE2-CG1 3.56Å; I100-V109 HydrophobicContact CG2-CG1 3.73Å; I101-V109 HydrophobicContact CD1-CB 4.16Å; I101-V109 HydrophobicContact CD1-CG2 3.84Å; K104-V109 HydrophobicContact CB-CG2 3.65Å; K104-V109 HydrophobicContact CG-CG1 4.1Å; K104-V109 HydrophobicContact CG-CG2 4.12Å; V109-M111 WeakPolarHBondContact O-CB 3.23Å; V109-M111 PolarHBondContact O-N 3.45Å; V109-M111 VanDerWaalsContact O-N 3.09Å
110	P	97.8	Very high	94.5	Very high	12 Å²	12	55.8 Å²	55.8	8%	0.078	25%	0.245	C	C	.	.			trans	-56.2	116.5	175.8	-26.8	35.5	0	0	0	111.3	Q76 G77 F78 Q163 M164 A167	Q76-P110 WeakPolarHBondContact O-CD 3.44Å; Q76-P110 WeakPolarHBondContact O-CG 3.3Å; G77-P110 CarbonylContact C-O 3.43Å; G77-P110 VanDerWaalsContact CA-O 3.28Å; G77-P110 WeakPolarHBondContact CA-O 3.11Å; F78-P110 PolarHBondContact N-O 3.29Å; P110-Q163 HydrophobicContact CB-CB 4.02Å; P110-M164 HydrophobicContact CB-CB 4.36Å; P110-M164 HydrophobicContact CB-CG 3.59Å; P110-M164 HydrophobicContact CG-CB 4.44Å; P110-M164 HydrophobicContact CG-CG 3.97Å; P110-A167 HydrophobicContact CG-CB 3.53Å
111	M	98.2	Very high	94.6	Very high	9 Å²	9	60.7 Å²	60.7	4%	0.044	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	147.7	-170.3	-176.5	175.9	-70.5	0	0	110.2	F78 L80 R97 I100 V109 W138 C140 P141	F78-M111 HydrophobicContact CB-CE 4.44Å; F78-M111 CarbonylContact O-C 3.58Å; F78-M111 VanDerWaalsContact O-CA 3.25Å; F78-M111 WeakPolarHBondContact O-CA 2.85Å; L80-M111 HydrophobicContact CD1-CE 3.71Å; L80-M111 HydrophobicContact CD1-CG 3.78Å; L80-M111 HydrophobicContact CD1-SD 3.33Å; L80-M111 WeakPolarHBondContact CD1-SD 3.5Å; R97-M111 HydrophobicContact CG-CE 4.05Å; R97-M111 HydrophobicContact CG-SD 3.88Å; I100-M111 HydrophobicContact CB-CE 4.08Å; I100-M111 HydrophobicContact CD1-CE 3.74Å; I100-M111 HydrophobicContact CG2-CE 3.7Å; V109-M111 WeakPolarHBondContact O-CB 3.23Å; V109-M111 PolarHBondContact O-N 3.45Å; V109-M111 VanDerWaalsContact O-N 3.09Å; M111-W138 HydrophobicContact SD-CE3 4.26Å; M111-C140 HydrophobicContact CB-CB 4.4Å; M111-P141 WeakPolarHBondContact O-CD 3.23Å
112	I	98.8	Very high	94.7	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	135.2	167.1	-174.8	164	0	0	0	109.9	F78 I79 L80 V114 P141 M143 L156 E159 I160	F78-I112 PolarHBondContact O-N 3.33Å; I79-I112 HydrophobicContact CB-CG2 4.24Å; I79-I112 HydrophobicContact CG1-CG2 3.76Å; I79-I112 HydrophobicContact CG2-CG2 4.26Å; L80-I112 PolarHBondContact N-O 3.25Å; I112-V114 HydrophobicContact CG1-CG2 4.34Å; I112-V114 HydrophobicContact CG2-CG2 4.3Å; I112-P141 HydrophobicContact CD1-CB 4.04Å; I112-P141 HydrophobicContact CG1-CB 4.04Å; I112-M143 HydrophobicContact CD1-CB 4.49Å; I112-M143 HydrophobicContact CD1-CG 3.87Å; I112-M143 HydrophobicContact CD1-SD 3.66Å; I112-L156 HydrophobicContact CD1-CD1 3.83Å; I112-L156 HydrophobicContact CG1-CD1 4.29Å; I112-L156 HydrophobicContact CG2-CD1 3.62Å; I112-E159 HydrophobicContact CD1-CB 4.04Å; I112-E159 HydrophobicContact CD1-CG 3.71Å; I112-I160 HydrophobicContact CG2-CB 4.27Å; I112-I160 HydrophobicContact CG2-CD1 4.14Å; I112-I160 HydrophobicContact CG2-CG1 4.5Å
113	L	98.9	Very high	94.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	132.4	173.2	178.9	63.3	0	0	0	109.8	L80 Y82 I93 G131 L134 A135 W138 P141 F142 M143	L80-L113 HydrophobicContact CB-CD1 4.37Å; Y82-L113 HydrophobicContact CD1-CD1 3.8Å; Y82-L113 HydrophobicContact CD1-CG 4.45Å; Y82-L113 HydrophobicContact CE1-CD1 3.87Å; Y82-L113 HydrophobicContact CE1-CD2 4.39Å; Y82-L113 HydrophobicContact CE1-CG 4.02Å; I93-L113 HydrophobicContact CD1-CD1 4.21Å; L113-G131 WeakPolarHBondContact CD2-O 3.49Å; L113-L134 HydrophobicContact CD2-CB 4.05Å; L113-L134 HydrophobicContact CD2-CD2 3.97Å; L113-L134 HydrophobicContact CD2-CG 4.12Å; L113-A135 HydrophobicContact CB-CB 4.34Å; L113-A135 HydrophobicContact CD2-CB 4.07Å; L113-W138 HydrophobicContact CD1-CZ3 3.89Å; L113-W138 HydrophobicContact CD2-CZ3 4.46Å; L113-P141 PolarHBondContact N-O 2.86Å; L113-F142 HydrophobicContact CB-CD2 4.26Å; L113-F142 HydrophobicContact CD2-CD2 4.15Å; L113-F142 HydrophobicContact CG-CD2 4.01Å; L113-F142 HydrophobicContact CG-CE2 4.44Å; L113-F142 WeakPolarHBondContact O-CA 3.45Å; L113-F142 WeakPolarHBondContact O-CD2 3.45Å; L113-M143 PolarHBondContact O-N 3.17Å
114	V	99	Very high	95	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	117.3	-173.5	-175.7	0	0	0	0	111.6	L19 I79 L80 V81 Y82 I112 M143 T145 L156	L19-V114 HydrophobicContact CD1-CG1 4.3Å; I79-V114 HydrophobicContact CG2-CB 4.49Å; I79-V114 HydrophobicContact CG2-CG2 3.67Å; L80-V114 PolarHBondContact O-N 3.32Å; V81-V114 WeakPolarHBondContact CA-O 3.3Å; V81-V114 HydrophobicContact CG1-CG1 4.46Å; V81-V114 HydrophobicContact CG2-CB 4.33Å; Y82-V114 WeakPolarHBondContact CD1-O 3.37Å; Y82-V114 PolarHBondContact N-O 3.38Å; I112-V114 HydrophobicContact CG1-CG2 4.34Å; I112-V114 HydrophobicContact CG2-CG2 4.3Å; V114-M143 VanDerWaalsContact CA-O 3.31Å; V114-M143 WeakPolarHBondContact CA-O 3.47Å; V114-T145 HydrophobicContact CG1-CG2 3.71Å; V114-T145 WeakPolarHBondContact CG1-OG1 3.33Å; V114-L156 HydrophobicContact CG1-CD2 4.25Å; V114-L156 HydrophobicContact CG2-CD1 3.41Å; V114-L156 VanDerWaalsContact CG2-CD1 3.41Å; V114-L156 HydrophobicContact CG2-CD2 4.07Å; V114-L156 HydrophobicContact CG2-CG 4.39Å
115	G	98.9	Very high	95.2	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	102.8	166.3	0	0	0	0	0	110.5	Y82 M143 E144 T145	Y82-G115 VanDerWaalsContact CZ-CA 3.44Å; G115-M143 PolarHBondContact N-O 2.94Å; G115-E144 CarbonylContact O-C 3.5Å; G115-E144 WeakPolarHBondContact O-CA 3.4Å; G115-T145 PolarHBondContact O-N 3.21Å
116	N	98.9	Very high	95.8	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.016	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	162.2	-177.3	-171.5	41.9	0	0	0	112.9	V14 L19 V81 Y82 L84 T145 A147	V14-N116 PolarHBondContact O-ND2 3.11Å; L19-N116 HydrophobicContact CD1-CB 4.26Å; V81-N116 HydrophobicContact CG1-CB 3.79Å; Y82-N116 PolarHBondContact O-N 3.21Å; L84-N116 WeakPolarHBondContact CG-O 3.25Å; L84-N116 PolarHBondContact N-O 3.16Å; N116-T145 CarbonylContact C-O 3.55Å; N116-T145 WeakPolarHBondContact CA-O 3.15Å; N116-T145 PolarHBondContact OD1-O 3.08Å; N116-T145 PolarHBondContact OD1-OG1 3.5Å; N116-A147 PolarHBondContact OD1-N 3.27Å
117	K	98.5	Very high	96.7	Very high	55 Å²	55	50.5 Å²	50.5	24%	0.239	27%	0.265	C	S	.	.			trans	75.4	40	-178.5	-45.2	-170.7	-165.1	164.9	0	114.1	G13 S83 V85 D119 L120 T145	G13-K117 VanDerWaalsContact O-CE 3.25Å; G13-K117 WeakPolarHBondContact O-CE 3.3Å; G13-K117 PolarHBondContact O-NZ 3.45Å; S83-K117 WeakPolarHBondContact OG-CD 3.46Å; S83-K117 WeakPolarHBondContact OG-CE 3.35Å; S83-K117 PolarHBondContact OG-NZ 3.36Å; V85-K117 HydrophobicContact CG2-CD 4.1Å; K117-D119 WeakPolarHBondContact CA-OD1 3.38Å; K117-D119 PolarHBondContact O-N 2.99Å; K117-D119 VanDerWaalsContact O-N 3.13Å; K117-L120 HydrophobicContact CB-CD1 4.11Å; K117-L120 HydrophobicContact CB-CG 4.34Å; K117-L120 HydrophobicContact CD-CD1 3.95Å; K117-L120 PolarHBondContact O-N 3.28Å; K117-T145 PolarHBondContact N-O 3.08Å
118	V	98.6	Very high	97.7	Very high	42 Å²	42	48.1 Å²	48.1	26%	0.255	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-63.1	-15.8	174	73.4	0	0	0	0	112.8	L84 L120 E144 T145	L84-V118 HydrophobicContact CD1-CB 3.76Å; L84-V118 HydrophobicContact CD1-CG2 4.16Å; V118-L120 PolarHBondContact O-N 3.09Å; V118-E144 HydrophobicContact CB-CB 4.5Å; V118-T145 PolarHBondContact N-O 2.85Å; V118-T145 VanDerWaalsContact N-O 3.09Å
119	D	98.3	Very high	98.3	Very high	47 Å²	47	45 Å²	45	25%	0.251	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-65.7	-16.6	169.7	57	-74.5	0	0	0	114	K117 S146 K148 N149	K117-D119 WeakPolarHBondContact CA-OD1 3.38Å; K117-D119 PolarHBondContact O-N 2.99Å; K117-D119 VanDerWaalsContact O-N 3.13Å; D119-S146 WeakPolarHBondContact CB-OG 3.16Å; D119-S146 VanDerWaalsContact CG-OG 3.23Å; D119-S146 VanDerWaalsContact OD1-CB 3.29Å; D119-S146 WeakPolarHBondContact OD1-CB 3.03Å; D119-S146 PolarHBondContact OD1-OG 3.42Å; D119-K148 WeakPolarHBondContact OD2-CD 3.2Å; D119-N149 WeakPolarHBondContact CB-ND2 3.38Å
120	L	98	Very high	98.5	Very high	48 Å²	48	47.7 Å²	47.7	25%	0.251	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-102.5	40	178	-57.6	179.8	0	0	0	111.9	V85 K117 V118 G122 E123 R124	V85-L120 HydrophobicContact CG1-CB 3.56Å; V85-L120 HydrophobicContact CG1-CD1 4.21Å; V85-L120 HydrophobicContact CG2-CD1 4.06Å; K117-L120 HydrophobicContact CB-CD1 4.11Å; K117-L120 HydrophobicContact CB-CG 4.34Å; K117-L120 HydrophobicContact CD-CD1 3.95Å; K117-L120 PolarHBondContact O-N 3.28Å; V118-L120 PolarHBondContact O-N 3.09Å; L120-G122 PolarHBondContact O-N 3.47Å; L120-G122 VanDerWaalsContact O-N 3.12Å; L120-E123 HydrophobicContact CB-CB 4.45Å; L120-E123 WeakPolarHBondContact O-CA 3.17Å; L120-E123 PolarHBondContact O-N 2.9Å; L120-R124 PolarHBondContact O-N 2.8Å
121	E	97.2	Very high	98.6	Very high	103 Å²	103	47.1 Å²	47.1	48%	0.481	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-53.7	-35.3	-175.2	-170.3	60.9	-151.2	0	0	113.7	E123 R124	E121-E123 PolarHBondContact O-N 2.88Å; E121-R124 VanDerWaalsContact O-CB 3.28Å; E121-R124 WeakPolarHBondContact O-CB 3.27Å; E121-R124 PolarHBondContact O-N 3.29Å; E121-R124 IonicContact OE1-CZ 2.85Å; E121-R124 IonicContact OE1-NE 2.73Å; E121-R124 PolarHBondContact OE1-NE 2.7Å; E121-R124 IonicContact OE1-NH2 3.48Å; E121-R124 IonicContact OE2-CZ 3.81Å; E121-R124 VanDerWaalsContact OE2-CZ 3.28Å; E121-R124 IonicContact OE2-NE 3.01Å; E121-R124 PolarHBondContact OE2-NE 3.44Å; E121-R124 IonicContact OE2-NH2 3.67Å; E121-R124 PolarHBondContact OE2-NH2 2.91Å
122	G	98.1	Very high	98.6	Very high	88 Å²	88	50.2 Å²	50.2	91%	0.907	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-68	-14	177.2	0	0	0	0	0	114.8	L120	L120-G122 PolarHBondContact O-N 3.47Å; L120-G122 VanDerWaalsContact O-N 3.12Å
123	E	98.5	Very high	98.6	Very high	125 Å²	125	52.8 Å²	52.8	58%	0.584	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-110.1	9.4	178.5	-63.8	173.3	-132.4	0	0	111.6	V85 L120 E121 E125	V85-E123 WeakPolarHBondContact CA-O 3.28Å; V85-E123 HydrophobicContact CB-CB 4.15Å; V85-E123 WeakPolarHBondContact CB-O 3.49Å; V85-E123 HydrophobicContact CG1-CB 3.68Å; V85-E123 WeakPolarHBondContact CG1-O 3.4Å; L120-E123 HydrophobicContact CB-CB 4.45Å; L120-E123 WeakPolarHBondContact O-CA 3.17Å; L120-E123 PolarHBondContact O-N 2.9Å; E121-E123 PolarHBondContact O-N 2.88Å; E123-E125 PolarHBondContact O-N 3.32Å
124	R	98.7	Very high	98.6	Very high	58 Å²	58	53.2 Å²	53.2	22%	0.219	30%	0.296	C	S	.	.			trans	-60.2	125.9	-176.1	-179.7	-175.7	-74.4	-93.8	7.8	111.4	L120 E121 V126 E144	L120-R124 PolarHBondContact O-N 2.8Å; E121-R124 VanDerWaalsContact O-CB 3.28Å; E121-R124 WeakPolarHBondContact O-CB 3.27Å; E121-R124 PolarHBondContact O-N 3.29Å; E121-R124 IonicContact OE1-CZ 2.85Å; E121-R124 IonicContact OE1-NE 2.73Å; E121-R124 PolarHBondContact OE1-NE 2.7Å; E121-R124 IonicContact OE1-NH2 3.48Å; E121-R124 IonicContact OE2-CZ 3.81Å; E121-R124 VanDerWaalsContact OE2-CZ 3.28Å; E121-R124 IonicContact OE2-NE 3.01Å; E121-R124 PolarHBondContact OE2-NE 3.44Å; E121-R124 IonicContact OE2-NH2 3.67Å; E121-R124 PolarHBondContact OE2-NH2 2.91Å; R124-V126 VanDerWaalsContact CD-O 3.29Å; R124-V126 WeakPolarHBondContact CD-O 3.34Å; R124-V126 WeakPolarHBondContact CG-O 3.31Å; R124-V126 PolarHBondContact NH1-O 3.15Å; R124-E144 IonicContact CZ-OE1 2.77Å; R124-E144 IonicContact CZ-OE2 4Å; R124-E144 IonicContact NH1-OE1 2.8Å; R124-E144 PolarHBondContact NH1-OE1 2.77Å; R124-E144 IonicContact NH1-OE2 3.29Å; R124-E144 IonicContact NH2-OE1 3.58Å; R124-E144 PolarHBondContact NH2-OE1 3.16Å; R124-E144 IonicContact NH2-OE2 3.89Å; R124-E144 PolarHBondContact NH2-OE2 3.48Å
125	E	98.8	Very high	98.6	Very high	111 Å²	111	53.2 Å²	53.2	52%	0.519	30%	0.297	S	S	.	.			trans	-105.2	-31.1	172.9	-61.6	-174	178.4	0	0	112.2	L84 N86 Q87 E123	L84-E125 PolarHBondContact O-N 2.94Å; N86-E125 WeakPolarHBondContact CA-OE2 3.27Å; Q87-E125 HydrophobicContact CB-CB 4.26Å; Q87-E125 PolarHBondContact N-OE2 3.36Å; Q87-E125 PolarHBondContact OE1-O 3.05Å; E123-E125 PolarHBondContact O-N 3.32Å
126	V	98.8	Very high	98.6	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.323	C	S	.	.	S	Bend	trans	-105.8	120.7	179.3	-173.2	0	0	0	0	109.7	Y82 L84 F90 R124 E130	Y82-V126 HydrophobicContact CD2-CB 4.49Å; Y82-V126 HydrophobicContact CD2-CG1 4.47Å; Y82-V126 HydrophobicContact CD2-CG2 4.12Å; Y82-V126 HydrophobicContact CE2-CB 3.83Å; Y82-V126 HydrophobicContact CE2-CG1 3.59Å; Y82-V126 HydrophobicContact CE2-CG2 3.95Å; L84-V126 PolarHBondContact O-N 3.32Å; F90-V126 HydrophobicContact CB-CG1 4.44Å; F90-V126 HydrophobicContact CB-CG2 3.69Å; F90-V126 HydrophobicContact CD1-CG1 4.15Å; F90-V126 HydrophobicContact CD2-CG1 4.05Å; F90-V126 HydrophobicContact CE1-CG1 4.42Å; F90-V126 HydrophobicContact CE2-CG1 4.31Å; F90-V126 HydrophobicContact CG-CG1 3.96Å; F90-V126 HydrophobicContact CG-CG2 4.1Å; F90-V126 HydrophobicContact CZ-CG1 4.49Å; R124-V126 VanDerWaalsContact CD-O 3.29Å; R124-V126 WeakPolarHBondContact CD-O 3.34Å; R124-V126 WeakPolarHBondContact CG-O 3.31Å; R124-V126 PolarHBondContact NH1-O 3.15Å; V126-E130 HydrophobicContact CG1-CB 4.02Å
127	S	98.6	Very high	98.5	Very high	51 Å²	51	65.8 Å²	65.8	36%	0.357	36%	0.355	S	S	.	.			trans	-71.9	154.9	178.1	67.8	0	0	0	0	112.6	G129 E130 G131	S127-G129 PolarHBondContact O-N 3.34Å; S127-E130 WeakPolarHBondContact CB-OE2 3.45Å; S127-E130 PolarHBondContact N-OE2 3.5Å; S127-E130 PolarHBondContact O-N 2.88Å; S127-E130 VanDerWaalsContact OG-CG 3.3Å; S127-E130 WeakPolarHBondContact OG-CG 3.32Å; S127-E130 PolarHBondContact OG-N 3.5Å; S127-E130 PolarHBondContact OG-OE2 2.97Å; S127-G131 PolarHBondContact O-N 2.9Å
128	Y	98.7	Very high	98.4	Very high	132 Å²	132	64.4 Å²	64.4	52%	0.518	35%	0.348	S	S	.	.	H	α-helix	trans	-55.1	-38.6	171	179.8	-88.5	0	0	0	111.7	G131 K132 F142 E144	Y128-G131 PolarHBondContact O-N 3.15Å; Y128-K132 HydrophobicContact CD1-CB 4.37Å; Y128-K132 HydrophobicContact CE1-CB 4.1Å; Y128-K132 HydrophobicContact CE1-CG 4.31Å; Y128-K132 VanDerWaalsContact O-CB 3.24Å; Y128-K132 WeakPolarHBondContact O-CB 3.37Å; Y128-K132 PolarHBondContact O-N 3.4Å; Y128-F142 AromaticContact CD2-CE1 3.8Å; Y128-F142 HydrophobicContact CD2-CE1 3.8Å; Y128-F142 HydrophobicContact CE2-CD1 4.19Å; Y128-F142 AromaticContact CE2-CE1 3.68Å; Y128-F142 HydrophobicContact CE2-CE1 3.68Å; Y128-F142 HydrophobicContact CG-CE1 4.39Å; Y128-E144 HydrophobicContact CD2-CG 4.21Å
129	G	98.8	Very high	98.3	Very high	46 Å²	46	67.3 Å²	67.3	47%	0.474	37%	0.37	S	S	.	.	H	α-helix	trans	-62.6	-40.9	179.2	0	0	0	0	0	113.1	S127 K132 A133	S127-G129 PolarHBondContact O-N 3.34Å; G129-K132 PolarHBondContact O-N 2.86Å; G129-A133 VanDerWaalsContact O-CB 3.23Å; G129-A133 WeakPolarHBondContact O-CB 3.19Å; G129-A133 PolarHBondContact O-N 2.8Å
130	E	98.8	Very high	98.3	Very high	72 Å²	72	66 Å²	66	34%	0.336	36%	0.364	S	S	.	.	H	α-helix	trans	-64.6	-47	176.2	-75.8	165.7	101.8	0	0	112	F90 V126 S127 A133 L134	F90-E130 HydrophobicContact CE1-CB 4.19Å; F90-E130 HydrophobicContact CZ-CB 4.12Å; V126-E130 HydrophobicContact CG1-CB 4.02Å; S127-E130 WeakPolarHBondContact CB-OE2 3.45Å; S127-E130 PolarHBondContact N-OE2 3.5Å; S127-E130 PolarHBondContact O-N 2.88Å; S127-E130 VanDerWaalsContact OG-CG 3.3Å; S127-E130 WeakPolarHBondContact OG-CG 3.32Å; S127-E130 PolarHBondContact OG-N 3.5Å; S127-E130 PolarHBondContact OG-OE2 2.97Å; E130-A133 PolarHBondContact O-N 3.28Å; E130-L134 PolarHBondContact O-N 3.28Å; E130-L134 VanDerWaalsContact O-N 3.08Å
131	G	98.8	Very high	98.3	Very high	0 Å²	0	65 Å²	65	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-61.6	-44.4	176.7	0	0	0	0	0	112.1	Y82 L113 S127 Y128 L134 A135	Y82-G131 WeakPolarHBondContact OH-CA 3.4Å; L113-G131 WeakPolarHBondContact CD2-O 3.49Å; S127-G131 PolarHBondContact O-N 2.9Å; Y128-G131 PolarHBondContact O-N 3.15Å; G131-L134 PolarHBondContact O-N 3.47Å; G131-A135 PolarHBondContact O-N 3.43Å; G131-A135 VanDerWaalsContact O-N 3.09Å
132	K	98.9	Very high	98.4	Very high	73 Å²	73	61.1 Å²	61.1	32%	0.317	34%	0.343	S	S	.	.	H	α-helix	trans	-64.5	-45.6	179	-176.3	58.9	179.4	168.4	0	112.4	Y128 G129 L134 A135 E136 F142	Y128-K132 HydrophobicContact CD1-CB 4.37Å; Y128-K132 HydrophobicContact CE1-CB 4.1Å; Y128-K132 HydrophobicContact CE1-CG 4.31Å; Y128-K132 VanDerWaalsContact O-CB 3.24Å; Y128-K132 WeakPolarHBondContact O-CB 3.37Å; Y128-K132 PolarHBondContact O-N 3.4Å; G129-K132 PolarHBondContact O-N 2.86Å; K132-L134 VanDerWaalsContact C-N 3.34Å; K132-L134 PolarHBondContact O-N 3.33Å; K132-A135 PolarHBondContact O-N 3.49Å; K132-E136 WeakPolarHBondContact CE-OE1 3.24Å; K132-E136 IonicContact NZ-OE1 2.81Å; K132-E136 WeakPolarHBondContact O-CG 3.36Å; K132-E136 PolarHBondContact O-N 2.98Å; K132-F142 HydrophobicContact CB-CD1 4.05Å; K132-F142 HydrophobicContact CB-CE1 4.29Å; K132-F142 HydrophobicContact CD-CB 4.44Å; K132-F142 HydrophobicContact CD-CD1 4.13Å
133	A	98.9	Very high	98.4	Very high	54 Å²	54	58.4 Å²	58.4	45%	0.446	31%	0.307	S	S	.	.	H	α-helix	trans	-62.1	-40.8	178.3	0	0	0	0	0	111.9	G129 E130 E136 E137	G129-A133 VanDerWaalsContact O-CB 3.23Å; G129-A133 WeakPolarHBondContact O-CB 3.19Å; G129-A133 PolarHBondContact O-N 2.8Å; E130-A133 PolarHBondContact O-N 3.28Å; A133-E136 PolarHBondContact O-N 3.37Å; A133-E137 PolarHBondContact O-N 3.46Å
134	L	98.8	Very high	98.4	Very high	9 Å²	9	53.9 Å²	53.9	5%	0.047	29%	0.286	C	S	.	.	H	α-helix	trans	-65.6	-39.5	176.8	-173.8	65.2	0	0	0	112.1	F90 I93 K94 L113 E130 G131 K132 E137 W138	F90-L134 HydrophobicContact CD2-CD2 4.32Å; F90-L134 HydrophobicContact CE2-CB 4.26Å; F90-L134 HydrophobicContact CE2-CD2 3.48Å; F90-L134 VanDerWaalsContact CE2-CD2 3.48Å; F90-L134 HydrophobicContact CZ-CB 4Å; F90-L134 HydrophobicContact CZ-CD2 3.64Å; F90-L134 HydrophobicContact CZ-CG 4.42Å; I93-L134 HydrophobicContact CD1-CD2 3.45Å; I93-L134 VanDerWaalsContact CD1-CD2 3.45Å; K94-L134 HydrophobicContact CG-CD2 4.41Å; L113-L134 HydrophobicContact CD2-CB 4.05Å; L113-L134 HydrophobicContact CD2-CD2 3.97Å; L113-L134 HydrophobicContact CD2-CG 4.12Å; E130-L134 PolarHBondContact O-N 3.28Å; E130-L134 VanDerWaalsContact O-N 3.08Å; G131-L134 PolarHBondContact O-N 3.47Å; K132-L134 VanDerWaalsContact C-N 3.34Å; K132-L134 PolarHBondContact O-N 3.33Å; L134-E137 WeakPolarHBondContact O-CB 3.3Å; L134-E137 PolarHBondContact O-N 3.02Å; L134-W138 HydrophobicContact CD1-CD2 4.38Å; L134-W138 HydrophobicContact CD1-CZ2 3.87Å; L134-W138 HydrophobicContact CD2-CH2 3.93Å; L134-W138 HydrophobicContact CD2-CZ2 3.77Å; L134-W138 HydrophobicContact CD2-CZ3 4.4Å; L134-W138 HydrophobicContact CG-CD2 4.1Å; L134-W138 HydrophobicContact CG-CE3 4.48Å; L134-W138 HydrophobicContact CG-CH2 4.34Å; L134-W138 HydrophobicContact CG-CZ2 3.88Å; L134-W138 WeakPolarHBondContact O-CB 3.42Å; L134-W138 VanDerWaalsContact O-CG 3.27Å; L134-W138 PolarHBondContact O-N 2.93Å
135	A	98.8	Very high	98.4	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-68	-35.3	176.6	0	0	0	0	0	113	L113 G131 K132 W138 S139 C140 F142	L113-A135 HydrophobicContact CB-CB 4.34Å; L113-A135 HydrophobicContact CD2-CB 4.07Å; G131-A135 PolarHBondContact O-N 3.43Å; G131-A135 VanDerWaalsContact O-N 3.09Å; K132-A135 PolarHBondContact O-N 3.49Å; A135-W138 CarbonylContact O-C 3.49Å; A135-W138 PolarHBondContact O-N 2.68Å; A135-S139 PolarHBondContact O-N 3.35Å; A135-C140 PolarHBondContact O-N 3.09Å; A135-F142 HydrophobicContact CB-CB 3.54Å; A135-F142 HydrophobicContact CB-CG 4.29Å
136	E	98.6	Very high	98.4	Very high	121 Å²	121	45.8 Å²	45.8	57%	0.565	25%	0.25	S	S	*	.	H	α-helix	trans	-64	-45.1	171.6	-73.3	172.6	178.2	0	0	111.2	K132 A133 W138 S139	K132-E136 WeakPolarHBondContact CE-OE1 3.24Å; K132-E136 IonicContact NZ-OE1 2.81Å; K132-E136 WeakPolarHBondContact O-CG 3.36Å; K132-E136 PolarHBondContact O-N 2.98Å; A133-E136 PolarHBondContact O-N 3.37Å; E136-W138 PolarHBondContact O-N 2.85Å; E136-S139 PolarHBondContact O-N 2.73Å
137	E	98	Very high	98.4	Very high	146 Å²	146	46 Å²	46	68%	0.682	25%	0.252	S	S	*	.	H	α-helix	trans	-55.8	-41.1	172.3	-175.1	-168.7	146	0	0	111.4	A133 L134 S139	A133-E137 PolarHBondContact O-N 3.46Å; L134-E137 WeakPolarHBondContact O-CB 3.3Å; L134-E137 PolarHBondContact O-N 3.02Å; E137-S139 VanDerWaalsContact C-N 3.3Å; E137-S139 PolarHBondContact O-N 3.29Å
138	W	96.7	Very high	98.4	Very high	26 Å²	26	48.5 Å²	48.5	10%	0.098	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-5.4	179.3	-67.1	-1.4	0	0	0	114.5	L80 I93 K94 R97 M111 L113 L134 A135 E136 C140	L80-W138 HydrophobicContact CD1-CH2 4.38Å; L80-W138 HydrophobicContact CD1-CZ3 3.77Å; I93-W138 HydrophobicContact CD1-CH2 3.38Å; I93-W138 HydrophobicContact CD1-CZ2 4.04Å; I93-W138 HydrophobicContact CD1-CZ3 4.2Å; K94-W138 HydrophobicContact CB-CZ2 4.44Å; K94-W138 HydrophobicContact CG-CZ2 4.14Å; R97-W138 HydrophobicContact CB-CE3 4.48Å; R97-W138 HydrophobicContact CB-CH2 3.49Å; R97-W138 VanDerWaalsContact CB-CH2 3.49Å; R97-W138 HydrophobicContact CB-CZ2 3.66Å; R97-W138 HydrophobicContact CB-CZ3 3.96Å; R97-W138 HydrophobicContact CG-CD2 3.87Å; R97-W138 HydrophobicContact CG-CE3 3.97Å; R97-W138 HydrophobicContact CG-CH2 3.84Å; R97-W138 HydrophobicContact CG-CZ2 3.8Å; R97-W138 HydrophobicContact CG-CZ3 3.96Å; M111-W138 HydrophobicContact SD-CE3 4.26Å; L113-W138 HydrophobicContact CD1-CZ3 3.89Å; L113-W138 HydrophobicContact CD2-CZ3 4.46Å; L134-W138 HydrophobicContact CD1-CD2 4.38Å; L134-W138 HydrophobicContact CD1-CZ2 3.87Å; L134-W138 HydrophobicContact CD2-CH2 3.93Å; L134-W138 HydrophobicContact CD2-CZ2 3.77Å; L134-W138 HydrophobicContact CD2-CZ3 4.4Å; L134-W138 HydrophobicContact CG-CD2 4.1Å; L134-W138 HydrophobicContact CG-CE3 4.48Å; L134-W138 HydrophobicContact CG-CH2 4.34Å; L134-W138 HydrophobicContact CG-CZ2 3.88Å; L134-W138 WeakPolarHBondContact O-CB 3.42Å; L134-W138 VanDerWaalsContact O-CG 3.27Å; L134-W138 PolarHBondContact O-N 2.93Å; A135-W138 CarbonylContact O-C 3.49Å; A135-W138 PolarHBondContact O-N 2.68Å; E136-W138 PolarHBondContact O-N 2.85Å; W138-C140 PolarHBondContact O-N 2.97Å
139	S	95.9	Very high	98.3	Very high	102 Å²	102	47.5 Å²	47.5	71%	0.713	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	41.7	-173.8	-59.6	0	0	0	0	112.8	A135 E136 E137	A135-S139 PolarHBondContact O-N 3.35Å; E136-S139 PolarHBondContact O-N 2.73Å; E137-S139 VanDerWaalsContact C-N 3.3Å; E137-S139 PolarHBondContact O-N 3.29Å
140	C	97.5	Very high	98.3	Very high	19 Å²	19	49.2 Å²	49.2	13%	0.128	25%	0.254	C	S	.	.	S	Bend	trans	-125.7	160.3	177.7	74.6	0	0	0	0	112	M111 A135 W138	M111-C140 HydrophobicContact CB-CB 4.4Å; A135-C140 PolarHBondContact O-N 3.09Å; W138-C140 PolarHBondContact O-N 2.97Å
141	P	98.6	Very high	98.3	Very high	28 Å²	28	47.5 Å²	47.5	18%	0.182	25%	0.252	C	S	.	.			trans	-60.7	155.3	169.8	-20.4	31.9	0	0	0	112.5	M111 I112 L113 E159 Q163	M111-P141 WeakPolarHBondContact O-CD 3.23Å; I112-P141 HydrophobicContact CD1-CB 4.04Å; I112-P141 HydrophobicContact CG1-CB 4.04Å; L113-P141 PolarHBondContact N-O 2.86Å; P141-E159 HydrophobicContact CB-CG 4.16Å; P141-E159 HydrophobicContact CG-CG 4.22Å; P141-E159 WeakPolarHBondContact CG-OE1 3.4Å; P141-Q163 HydrophobicContact CG-CG 3.94Å
142	F	98.8	Very high	98.2	Very high	22 Å²	22	50.2 Å²	50.2	10%	0.096	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.8	175	175.8	-123.1	0	0	0	109.8	Y82 L113 Y128 K132 A135 E144	Y82-F142 HydrophobicContact CE1-CE2 4.17Å; Y82-F142 WeakPolarHBondContact OH-CE2 3.38Å; L113-F142 HydrophobicContact CB-CD2 4.26Å; L113-F142 HydrophobicContact CD2-CD2 4.15Å; L113-F142 HydrophobicContact CG-CD2 4.01Å; L113-F142 HydrophobicContact CG-CE2 4.44Å; L113-F142 WeakPolarHBondContact O-CA 3.45Å; L113-F142 WeakPolarHBondContact O-CD2 3.45Å; Y128-F142 AromaticContact CD2-CE1 3.8Å; Y128-F142 HydrophobicContact CD2-CE1 3.8Å; Y128-F142 HydrophobicContact CE2-CD1 4.19Å; Y128-F142 AromaticContact CE2-CE1 3.68Å; Y128-F142 HydrophobicContact CE2-CE1 3.68Å; Y128-F142 HydrophobicContact CG-CE1 4.39Å; K132-F142 HydrophobicContact CB-CD1 4.05Å; K132-F142 HydrophobicContact CB-CE1 4.29Å; K132-F142 HydrophobicContact CD-CB 4.44Å; K132-F142 HydrophobicContact CD-CD1 4.13Å; A135-F142 HydrophobicContact CB-CB 3.54Å; A135-F142 HydrophobicContact CB-CG 4.29Å; F142-E144 HydrophobicContact CE1-CG 4.07Å; F142-E144 HydrophobicContact CE2-CG 4.46Å; F142-E144 HydrophobicContact CZ-CG 3.64Å
143	M	98.8	Very high	98.2	Very high	30 Å²	30	46.8 Å²	46.8	15%	0.148	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	143.1	172.1	-65.9	-178.9	80.1	0	0	110.8	I112 L113 V114 G115 E155 L156 E159	I112-M143 HydrophobicContact CD1-CB 4.49Å; I112-M143 HydrophobicContact CD1-CG 3.87Å; I112-M143 HydrophobicContact CD1-SD 3.66Å; L113-M143 PolarHBondContact O-N 3.17Å; V114-M143 VanDerWaalsContact CA-O 3.31Å; V114-M143 WeakPolarHBondContact CA-O 3.47Å; G115-M143 PolarHBondContact N-O 2.94Å; M143-E155 HydrophobicContact CE-CB 3.73Å; M143-E155 HydrophobicContact CE-CG 3.54Å; M143-E155 HydrophobicContact SD-CG 4.45Å; M143-L156 HydrophobicContact SD-CB 4.26Å; M143-E159 HydrophobicContact SD-CB 4.44Å
144	E	98.9	Very high	98.2	Very high	30 Å²	30	47.4 Å²	47.4	14%	0.14	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	138.3	160.9	-66.5	-167.9	165.6	0	0	110.1	L84 G115 V118 R124 Y128 F142 S152	L84-E144 HydrophobicContact CD1-CB 4.4Å; L84-E144 HydrophobicContact CD1-CG 4.22Å; L84-E144 HydrophobicContact CD2-CG 4.33Å; L84-E144 WeakPolarHBondContact CD2-OE1 3.43Å; G115-E144 CarbonylContact O-C 3.5Å; G115-E144 WeakPolarHBondContact O-CA 3.4Å; V118-E144 HydrophobicContact CB-CB 4.5Å; R124-E144 IonicContact CZ-OE1 2.77Å; R124-E144 IonicContact CZ-OE2 4Å; R124-E144 IonicContact NH1-OE1 2.8Å; R124-E144 PolarHBondContact NH1-OE1 2.77Å; R124-E144 IonicContact NH1-OE2 3.29Å; R124-E144 IonicContact NH2-OE1 3.58Å; R124-E144 PolarHBondContact NH2-OE1 3.16Å; R124-E144 IonicContact NH2-OE2 3.89Å; R124-E144 PolarHBondContact NH2-OE2 3.48Å; Y128-E144 HydrophobicContact CD2-CG 4.21Å; F142-E144 HydrophobicContact CE1-CG 4.07Å; F142-E144 HydrophobicContact CE2-CG 4.46Å; F142-E144 HydrophobicContact CZ-CG 3.64Å; E144-S152 WeakPolarHBondContact O-CB 3.36Å; E144-S152 PolarHBondContact O-OG 3.3Å
145	T	98.9	Very high	98.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	157	-174.2	62.4	0	0	0	0	111.8	V114 G115 N116 K117 V118 A151 L156	V114-T145 HydrophobicContact CG1-CG2 3.71Å; V114-T145 WeakPolarHBondContact CG1-OG1 3.33Å; G115-T145 PolarHBondContact O-N 3.21Å; N116-T145 CarbonylContact C-O 3.55Å; N116-T145 WeakPolarHBondContact CA-O 3.15Å; N116-T145 PolarHBondContact OD1-O 3.08Å; N116-T145 PolarHBondContact OD1-OG1 3.5Å; K117-T145 PolarHBondContact N-O 3.08Å; V118-T145 PolarHBondContact N-O 2.85Å; V118-T145 VanDerWaalsContact N-O 3.09Å; T145-A151 WeakPolarHBondContact CA-O 3.28Å; T145-L156 HydrophobicContact CG2-CB 4.42Å; T145-L156 HydrophobicContact CG2-CD2 4.18Å
146	S	98.7	Very high	98.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-128.7	111.1	161.3	174	0	0	0	0	108.7	D119 K148 N149 K150 A151	D119-S146 WeakPolarHBondContact CB-OG 3.16Å; D119-S146 VanDerWaalsContact CG-OG 3.23Å; D119-S146 VanDerWaalsContact OD1-CB 3.29Å; D119-S146 WeakPolarHBondContact OD1-CB 3.03Å; D119-S146 PolarHBondContact OD1-OG 3.42Å; S146-K148 PolarHBondContact O-N 2.71Å; S146-K148 PolarHBondContact OG-N 3.18Å; S146-N149 PolarHBondContact OG-N 3.21Å; S146-K150 CarbonylContact O-C 3.55Å; S146-K150 VanDerWaalsContact O-CA 3.28Å; S146-K150 WeakPolarHBondContact O-CA 3.36Å; S146-K150 PolarHBondContact O-N 3.4Å; S146-A151 PolarHBondContact N-O 3.25Å; S146-A151 PolarHBondContact O-N 3.27Å
147	A	98.5	Very high	98.2	Very high	3 Å²	3	45.4 Å²	45.4	3%	0.025	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-39.3	167.6	0	0	0	0	0	111	A18 L19 Q22 F28 N116 K150	A18-A147 HydrophobicContact CB-CB 3.64Å; L19-A147 HydrophobicContact CD2-CB 3.91Å; L19-A147 HydrophobicContact CG-CB 4.13Å; Q22-A147 WeakPolarHBondContact CG-O 3.19Å; Q22-A147 PolarHBondContact NE2-O 2.89Å; F28-A147 HydrophobicContact CD2-CB 4.15Å; F28-A147 HydrophobicContact CE2-CB 4.15Å; N116-A147 PolarHBondContact OD1-N 3.27Å; A147-K150 PolarHBondContact O-N 3.5Å
148	K	97.8	Very high	98.2	Very high	105 Å²	105	39 Å²	39	46%	0.457	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-49	-179	-172.4	-179	-175.2	176.9	0	112.5	F28 D119 S146	F28-K148 HydrophobicContact CD1-CB 4.45Å; F28-K148 HydrophobicContact CD1-CG 4.16Å; F28-K148 HydrophobicContact CD2-CB 4.38Å; F28-K148 HydrophobicContact CE1-CB 4.23Å; F28-K148 HydrophobicContact CE1-CG 3.97Å; F28-K148 HydrophobicContact CE2-CB 4.15Å; F28-K148 HydrophobicContact CZ-CB 4.08Å; F28-K148 HydrophobicContact CZ-CG 4.3Å; D119-K148 WeakPolarHBondContact OD2-CD 3.2Å; S146-K148 PolarHBondContact O-N 2.71Å; S146-K148 PolarHBondContact OG-N 3.18Å
149	N	97.9	Very high	98.3	Very high	110 Å²	110	39.3 Å²	39.3	59%	0.588	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	5.7	-176.2	-63.9	-12.8	0	0	0	113.3	D119 S146 A151	D119-N149 WeakPolarHBondContact CB-ND2 3.38Å; S146-N149 PolarHBondContact OG-N 3.21Å; N149-A151 PolarHBondContact O-N 3.37Å; N149-A151 VanDerWaalsContact O-N 3.1Å
150	K	97.4	Very high	98.5	Very high	83 Å²	83	34.4 Å²	34.4	36%	0.361	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	17.9	-171.5	-156	177.6	179.4	-150	0	114	Q22 S146 A147 S152 V153 D154	Q22-K150 HydrophobicContact CG-CB 4.23Å; Q22-K150 HydrophobicContact CG-CG 3.88Å; S146-K150 CarbonylContact O-C 3.55Å; S146-K150 VanDerWaalsContact O-CA 3.28Å; S146-K150 WeakPolarHBondContact O-CA 3.36Å; S146-K150 PolarHBondContact O-N 3.4Å; A147-K150 PolarHBondContact O-N 3.5Å; K150-S152 PolarHBondContact O-N 2.68Å; K150-V153 HydrophobicContact CG-CB 4.16Å; K150-V153 HydrophobicContact CG-CG2 4.38Å; K150-V153 PolarHBondContact O-N 3.24Å; K150-D154 WeakPolarHBondContact CE-OD2 3.22Å; K150-D154 IonicContact NZ-OD1 3.63Å; K150-D154 IonicContact NZ-OD2 2.72Å; K150-D154 PolarHBondContact NZ-OD2 2.82Å
151	A	98.4	Very high	98.5	Very high	36 Å²	36	33.5 Å²	33.5	30%	0.298	18%	0.177	S	C	.	.	B	Isolated β-bridge	trans	-66.6	123	-178.7	0	0	0	0	0	110.1	T145 S146 N149 V153	T145-A151 WeakPolarHBondContact CA-O 3.28Å; S146-A151 PolarHBondContact N-O 3.25Å; S146-A151 PolarHBondContact O-N 3.27Å; N149-A151 PolarHBondContact O-N 3.37Å; N149-A151 VanDerWaalsContact O-N 3.1Å; A151-V153 PolarHBondContact O-N 2.96Å; A151-V153 VanDerWaalsContact O-N 3.09Å
152	S	98.3	Very high	98.5	Very high	57 Å²	57	35.1 Å²	35.1	40%	0.399	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	12.5	178.1	-55.9	0	0	0	0	115.9	E144 K150 L156	E144-S152 WeakPolarHBondContact O-CB 3.36Å; E144-S152 PolarHBondContact O-OG 3.3Å; K150-S152 PolarHBondContact O-N 2.68Å; S152-L156 WeakPolarHBondContact O-CB 3.41Å; S152-L156 PolarHBondContact O-N 3.43Å
153	V	98.7	Very high	98.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-69.4	-50	-175.4	175.3	0	0	0	0	111.8	L19 Q22 F23 K150 A151 E155 L156 F157	L19-V153 HydrophobicContact CD2-CG2 3.85Å; Q22-V153 HydrophobicContact CB-CG1 4.38Å; Q22-V153 HydrophobicContact CG-CG1 4.2Å; Q22-V153 HydrophobicContact CG-CG2 4.24Å; F23-V153 HydrophobicContact CB-CG1 3.79Å; K150-V153 HydrophobicContact CG-CB 4.16Å; K150-V153 HydrophobicContact CG-CG2 4.38Å; K150-V153 PolarHBondContact O-N 3.24Å; A151-V153 PolarHBondContact O-N 2.96Å; A151-V153 VanDerWaalsContact O-N 3.09Å; V153-E155 VanDerWaalsContact C-N 3.32Å; V153-E155 PolarHBondContact O-N 3.46Å; V153-L156 WeakPolarHBondContact O-CB 3.41Å; V153-L156 PolarHBondContact O-N 2.76Å; V153-F157 HydrophobicContact CG1-CD2 4.44Å; V153-F157 HydrophobicContact CG1-CE2 4.35Å; V153-F157 WeakPolarHBondContact O-CD2 3.35Å; V153-F157 PolarHBondContact O-N 3.14Å
154	D	98.3	Very high	98.3	Very high	66 Å²	66	34.1 Å²	34.1	35%	0.353	17%	0.174	S	C	.	.	H	α-helix	trans	-65.6	-38.9	-179.8	-66.8	-39.9	0	0	0	111.1	F23 K150 L156 F157 A158	F23-D154 WeakPolarHBondContact CD2-OD1 3Å; K150-D154 WeakPolarHBondContact CE-OD2 3.22Å; K150-D154 IonicContact NZ-OD1 3.63Å; K150-D154 IonicContact NZ-OD2 2.72Å; K150-D154 PolarHBondContact NZ-OD2 2.82Å; D154-L156 PolarHBondContact O-N 3.29Å; D154-F157 PolarHBondContact O-N 2.94Å; D154-A158 PolarHBondContact O-N 3.29Å
155	E	98.6	Very high	98	Very high	88 Å²	88	34.5 Å²	34.5	41%	0.411	18%	0.177	S	C	.	.	H	α-helix	trans	-67.4	-34.4	178.2	-173.6	60.5	-162.3	0	0	112.5	M143 V153 F157 A158 E159 R162	M143-E155 HydrophobicContact CE-CB 3.73Å; M143-E155 HydrophobicContact CE-CG 3.54Å; M143-E155 HydrophobicContact SD-CG 4.45Å; V153-E155 VanDerWaalsContact C-N 3.32Å; V153-E155 PolarHBondContact O-N 3.46Å; E155-F157 PolarHBondContact O-N 3.05Å; E155-A158 PolarHBondContact O-N 2.95Å; E155-E159 VanDerWaalsContact O-CB 3.27Å; E155-E159 WeakPolarHBondContact O-CB 3.43Å; E155-E159 PolarHBondContact O-N 3.09Å; E155-R162 IonicContact OE1-CZ 3.14Å; E155-R162 IonicContact OE1-NH1 3.85Å; E155-R162 PolarHBondContact OE1-NH1 2.72Å; E155-R162 IonicContact OE1-NH2 3.01Å; E155-R162 PolarHBondContact OE1-NH2 2.77Å; E155-R162 IonicContact OE2-NH2 3.62Å
156	L	98.9	Very high	97.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-56.7	-49.1	172.5	164	60.9	0	0	0	111.7	L19 I79 I112 V114 M143 T145 S152 V153 D154 E159 I160	L19-L156 HydrophobicContact CD1-CD2 4.18Å; I79-L156 HydrophobicContact CD1-CD1 4.23Å; I79-L156 HydrophobicContact CD1-CG 4.27Å; I79-L156 HydrophobicContact CG1-CD1 4.33Å; I79-L156 HydrophobicContact CG2-CD1 4.06Å; I79-L156 HydrophobicContact CG2-CD2 4.29Å; I112-L156 HydrophobicContact CD1-CD1 3.83Å; I112-L156 HydrophobicContact CG1-CD1 4.29Å; I112-L156 HydrophobicContact CG2-CD1 3.62Å; V114-L156 HydrophobicContact CG1-CD2 4.25Å; V114-L156 HydrophobicContact CG2-CD1 3.41Å; V114-L156 VanDerWaalsContact CG2-CD1 3.41Å; V114-L156 HydrophobicContact CG2-CD2 4.07Å; V114-L156 HydrophobicContact CG2-CG 4.39Å; M143-L156 HydrophobicContact SD-CB 4.26Å; T145-L156 HydrophobicContact CG2-CB 4.42Å; T145-L156 HydrophobicContact CG2-CD2 4.18Å; S152-L156 WeakPolarHBondContact O-CB 3.41Å; S152-L156 PolarHBondContact O-N 3.43Å; V153-L156 WeakPolarHBondContact O-CB 3.41Å; V153-L156 PolarHBondContact O-N 2.76Å; D154-L156 PolarHBondContact O-N 3.29Å; L156-E159 PolarHBondContact O-N 3.35Å; L156-I160 PolarHBondContact O-N 3.41Å; L156-I160 VanDerWaalsContact O-N 3.14Å
157	F	98.8	Very high	96.8	Very high	1 Å²	1	40.7 Å²	40.7	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-75.4	-28.2	-178.1	-73.7	-80.2	0	0	0	112.6	F23 I44 L53 I55 I79 V153 D154 E155 I160 V161	F23-F157 HydrophobicContact CB-CD2 3.43Å; F23-F157 VanDerWaalsContact CB-CD2 3.43Å; F23-F157 HydrophobicContact CB-CE2 3.34Å; F23-F157 HydrophobicContact CB-CG 4.3Å; F23-F157 HydrophobicContact CB-CZ 4.14Å; F23-F157 HydrophobicContact CD1-CB 4.13Å; F23-F157 AromaticContact CD1-CD1 3.99Å; F23-F157 HydrophobicContact CD1-CD1 3.99Å; F23-F157 AromaticContact CD1-CD2 3.68Å; F23-F157 HydrophobicContact CD1-CD2 3.68Å; F23-F157 HydrophobicContact CD1-CE1 4.31Å; F23-F157 HydrophobicContact CD1-CE2 4.03Å; F23-F157 AromaticContact CD1-CG 3.66Å; F23-F157 HydrophobicContact CD1-CG 3.66Å; F23-F157 HydrophobicContact CD1-CZ 4.33Å; F23-F157 HydrophobicContact CD2-CB 3.86Å; F23-F157 AromaticContact CD2-CD2 3.55Å; F23-F157 HydrophobicContact CD2-CD2 3.55Å; F23-F157 HydrophobicContact CD2-CE2 4.37Å; F23-F157 AromaticContact CD2-CG 3.9Å; F23-F157 HydrophobicContact CD2-CG 3.9Å; F23-F157 HydrophobicContact CE1-CB 3.87Å; F23-F157 HydrophobicContact CE1-CD1 4.16Å; F23-F157 HydrophobicContact CE1-CD2 4.31Å; F23-F157 AromaticContact CE1-CG 3.86Å; F23-F157 HydrophobicContact CE1-CG 3.86Å; F23-F157 HydrophobicContact CE2-CB 3.59Å; F23-F157 HydrophobicContact CE2-CD2 4.2Å; F23-F157 HydrophobicContact CE2-CG 4.1Å; F23-F157 HydrophobicContact CG-CB 4.12Å; F23-F157 HydrophobicContact CG-CD1 4.41Å; F23-F157 AromaticContact CG-CD2 3.25Å; F23-F157 HydrophobicContact CG-CD2 3.25Å; F23-F157 AromaticContact CG-CE2 3.67Å; F23-F157 HydrophobicContact CG-CE2 3.67Å; F23-F157 AromaticContact CG-CG 3.68Å; F23-F157 HydrophobicContact CG-CG 3.68Å; F23-F157 HydrophobicContact CG-CZ 4.4Å; F23-F157 HydrophobicContact CZ-CB 3.6Å; F23-F157 HydrophobicContact CZ-CG 4.08Å; I44-F157 HydrophobicContact CD1-CB 4.48Å; L53-F157 HydrophobicContact CD2-CB 4.14Å; L53-F157 HydrophobicContact CD2-CD1 3.81Å; L53-F157 HydrophobicContact CD2-CG 4.42Å; I55-F157 HydrophobicContact CD1-CD1 3.91Å; I55-F157 HydrophobicContact CD1-CE1 3.59Å; I55-F157 HydrophobicContact CD1-CZ 4.27Å; I55-F157 HydrophobicContact CG1-CD1 4.39Å; I55-F157 HydrophobicContact CG1-CE1 4.07Å; I55-F157 HydrophobicContact CG2-CE1 4.14Å; I79-F157 HydrophobicContact CD1-CD1 3.89Å; I79-F157 HydrophobicContact CD1-CE1 3.63Å; I79-F157 HydrophobicContact CD1-CZ 4.23Å; V153-F157 HydrophobicContact CG1-CD2 4.44Å; V153-F157 HydrophobicContact CG1-CE2 4.35Å; V153-F157 WeakPolarHBondContact O-CD2 3.35Å; V153-F157 PolarHBondContact O-N 3.14Å; D154-F157 PolarHBondContact O-N 2.94Å; E155-F157 PolarHBondContact O-N 3.05Å; F157-I160 WeakPolarHBondContact O-CG2 3.34Å; F157-V161 WeakPolarHBondContact O-CG2 3.46Å
158	A	98.7	Very high	95.8	Very high	11 Å²	11	43.4 Å²	43.4	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-65.7	-45.5	167.7	0	0	0	0	0	111.4	I44 V46 D154 E155 I160 V161 R162	I44-A158 HydrophobicContact CD1-CB 4.44Å; V46-A158 HydrophobicContact CG1-CB 4.46Å; V46-A158 HydrophobicContact CG2-CB 4.03Å; D154-A158 PolarHBondContact O-N 3.29Å; E155-A158 PolarHBondContact O-N 2.95Å; A158-I160 PolarHBondContact O-N 3.46Å; A158-V161 WeakPolarHBondContact O-CB 3.38Å; A158-V161 PolarHBondContact O-N 2.93Å; A158-V161 VanDerWaalsContact O-N 3.12Å; A158-R162 PolarHBondContact O-N 2.97Å
159	E	98.8	Very high	94.3	Very high	33 Å²	33	43.6 Å²	43.6	15%	0.154	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-40.1	-176.1	-176.8	54.1	-153.2	0	0	112.5	I112 P141 M143 E155 L156 V161 R162 Q163	I112-E159 HydrophobicContact CD1-CB 4.04Å; I112-E159 HydrophobicContact CD1-CG 3.71Å; P141-E159 HydrophobicContact CB-CG 4.16Å; P141-E159 HydrophobicContact CG-CG 4.22Å; P141-E159 WeakPolarHBondContact CG-OE1 3.4Å; M143-E159 HydrophobicContact SD-CB 4.44Å; E155-E159 VanDerWaalsContact O-CB 3.27Å; E155-E159 WeakPolarHBondContact O-CB 3.43Å; E155-E159 PolarHBondContact O-N 3.09Å; L156-E159 PolarHBondContact O-N 3.35Å; E159-V161 VanDerWaalsContact C-N 3.25Å; E159-V161 PolarHBondContact O-N 2.84Å; E159-R162 WeakPolarHBondContact O-CA 3.12Å; E159-R162 WeakPolarHBondContact O-CB 3.29Å; E159-R162 PolarHBondContact O-N 2.77Å; E159-R162 IonicContact OE2-CZ 3.4Å; E159-R162 IonicContact OE2-NH1 3.62Å; E159-R162 PolarHBondContact OE2-NH1 2.94Å; E159-Q163 WeakPolarHBondContact O-CG 3.19Å; E159-Q163 PolarHBondContact O-N 3.01Å; E159-Q163 PolarHBondContact OE1-NE2 2.98Å
160	I	98.6	Very high	92.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.9	-31.9	175.9	-165.9	52.2	0	0	0	112.2	V6 I79 I112 L156 F157 A158 Q163 M164	V6-I160 HydrophobicContact CG2-CG1 3.68Å; V6-I160 HydrophobicContact CG2-CG2 4.14Å; I79-I160 HydrophobicContact CD1-CG2 4.15Å; I79-I160 HydrophobicContact CG1-CB 4.25Å; I79-I160 HydrophobicContact CG1-CG1 4.09Å; I79-I160 HydrophobicContact CG1-CG2 4.4Å; I112-I160 HydrophobicContact CG2-CB 4.27Å; I112-I160 HydrophobicContact CG2-CD1 4.14Å; I112-I160 HydrophobicContact CG2-CG1 4.5Å; L156-I160 PolarHBondContact O-N 3.41Å; L156-I160 VanDerWaalsContact O-N 3.14Å; F157-I160 WeakPolarHBondContact O-CG2 3.34Å; A158-I160 PolarHBondContact O-N 3.46Å; I160-Q163 HydrophobicContact CD1-CB 4.33Å; I160-Q163 PolarHBondContact O-N 3.25Å; I160-M164 HydrophobicContact CG1-CE 4.29Å; I160-M164 HydrophobicContact CG2-CE 4.45Å; I160-M164 WeakPolarHBondContact O-CE 3.28Å; I160-M164 WeakPolarHBondContact O-CG 3.5Å; I160-M164 PolarHBondContact O-N 3.09Å
161	V	98.5	Very high	90.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.1	-41	171.4	170.7	0	0	0	0	110.7	Y4 I44 V46 L53 F157 A158 E159 Q163 M164 N165	Y4-V161 HydrophobicContact CD2-CG1 4.02Å; Y4-V161 HydrophobicContact CD2-CG2 4.31Å; Y4-V161 HydrophobicContact CE2-CG1 3.7Å; I44-V161 HydrophobicContact CG2-CG2 4.44Å; V46-V161 HydrophobicContact CB-CG1 3.97Å; V46-V161 HydrophobicContact CG1-CG1 4.25Å; V46-V161 HydrophobicContact CG2-CB 3.96Å; V46-V161 HydrophobicContact CG2-CG1 3.8Å; V46-V161 HydrophobicContact CG2-CG2 4.49Å; L53-V161 HydrophobicContact CD1-CG2 3.94Å; L53-V161 HydrophobicContact CD2-CG2 4.17Å; F157-V161 WeakPolarHBondContact O-CG2 3.46Å; A158-V161 WeakPolarHBondContact O-CB 3.38Å; A158-V161 PolarHBondContact O-N 2.93Å; A158-V161 VanDerWaalsContact O-N 3.12Å; E159-V161 VanDerWaalsContact C-N 3.25Å; E159-V161 PolarHBondContact O-N 2.84Å; V161-Q163 VanDerWaalsContact C-N 3.35Å; V161-Q163 PolarHBondContact O-N 2.92Å; V161-M164 HydrophobicContact CG2-CE 4.13Å; V161-M164 PolarHBondContact O-N 2.8Å; V161-N165 WeakPolarHBondContact O-CB 3.49Å; V161-N165 PolarHBondContact O-N 2.78Å; V161-N165 PolarHBondContact O-ND2 3.37Å
162	R	97.6	Very high	87.9	Confident	62 Å²	62	45.1 Å²	45.1	23%	0.234	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-43	172.6	-62.2	-166.3	-162.9	102.2	0.8	111.9	V46 D47 E155 A158 E159 M164 N165 Y166	V46-R162 HydrophobicContact CG1-CG 3.49Å; V46-R162 VanDerWaalsContact CG1-CG 3.49Å; D47-R162 IonicContact OD1-CZ 2.73Å; D47-R162 IonicContact OD1-NE 3.86Å; D47-R162 PolarHBondContact OD1-NE 3.47Å; D47-R162 IonicContact OD1-NH2 3.28Å; D47-R162 WeakPolarHBondContact OD2-CD 3.36Å; D47-R162 WeakPolarHBondContact OD2-CG 3.29Å; D47-R162 IonicContact OD2-NE 3.98Å; D47-R162 PolarHBondContact OD2-NE 2.73Å; E155-R162 IonicContact OE1-CZ 3.14Å; E155-R162 IonicContact OE1-NH1 3.85Å; E155-R162 PolarHBondContact OE1-NH1 2.72Å; E155-R162 IonicContact OE1-NH2 3.01Å; E155-R162 PolarHBondContact OE1-NH2 2.77Å; E155-R162 IonicContact OE2-NH2 3.62Å; A158-R162 PolarHBondContact O-N 2.97Å; E159-R162 WeakPolarHBondContact O-CA 3.12Å; E159-R162 WeakPolarHBondContact O-CB 3.29Å; E159-R162 PolarHBondContact O-N 2.77Å; E159-R162 IonicContact OE2-CZ 3.4Å; E159-R162 IonicContact OE2-NH1 3.62Å; E159-R162 PolarHBondContact OE2-NH1 2.94Å; R162-M164 PolarHBondContact O-N 3.42Å; R162-N165 WeakPolarHBondContact O-CB 3.2Å; R162-N165 PolarHBondContact O-N 3.46Å; R162-Y166 WeakPolarHBondContact O-CB 3.47Å; R162-Y166 PolarHBondContact O-N 3.29Å
163	Q	97	Very high	85.6	Confident	22 Å²	22	48.3 Å²	48.3	10%	0.103	27%	0.267	C	S	.	.	H	α-helix	trans	-62.4	-41	176.3	-66.6	-56.1	-48.5	0	0	112.4	P110 P141 E159 I160 V161 Y166 A167	P110-Q163 HydrophobicContact CB-CB 4.02Å; P141-Q163 HydrophobicContact CG-CG 3.94Å; E159-Q163 WeakPolarHBondContact O-CG 3.19Å; E159-Q163 PolarHBondContact O-N 3.01Å; E159-Q163 PolarHBondContact OE1-NE2 2.98Å; I160-Q163 HydrophobicContact CD1-CB 4.33Å; I160-Q163 PolarHBondContact O-N 3.25Å; V161-Q163 VanDerWaalsContact C-N 3.35Å; V161-Q163 PolarHBondContact O-N 2.92Å; Q163-Y166 PolarHBondContact O-N 2.58Å; Q163-A167 PolarHBondContact O-N 2.96Å
164	M	96.3	Very high	83.1	Confident	8 Å²	8	56.6 Å²	56.6	4%	0.039	31%	0.306	C	S	.	.	H	α-helix	trans	-69.5	-32.2	175.5	-72.6	-176.2	-74.8	0	0	113	Y4 V6 L53 Q76 G77 P110 I160 V161 R162 A168	Y4-M164 HydrophobicContact CD1-CB 3.65Å; Y4-M164 HydrophobicContact CD1-CE 3.83Å; Y4-M164 HydrophobicContact CD1-CG 4.36Å; Y4-M164 HydrophobicContact CD1-SD 3.83Å; Y4-M164 HydrophobicContact CE1-CB 3.83Å; Y4-M164 HydrophobicContact CG-CE 3.89Å; Y4-M164 HydrophobicContact CG-SD 4.32Å; V6-M164 HydrophobicContact CB-CE 4.46Å; L53-M164 HydrophobicContact CD1-CE 4Å; Q76-M164 HydrophobicContact CB-CG 4.39Å; Q76-M164 HydrophobicContact CB-SD 3.64Å; G77-M164 PolarHBondContact N-SD 3.18Å; G77-M164 VanDerWaalsContact N-SD 3.39Å; P110-M164 HydrophobicContact CB-CB 4.36Å; P110-M164 HydrophobicContact CB-CG 3.59Å; P110-M164 HydrophobicContact CG-CB 4.44Å; P110-M164 HydrophobicContact CG-CG 3.97Å; I160-M164 HydrophobicContact CG1-CE 4.29Å; I160-M164 HydrophobicContact CG2-CE 4.45Å; I160-M164 WeakPolarHBondContact O-CE 3.28Å; I160-M164 WeakPolarHBondContact O-CG 3.5Å; I160-M164 PolarHBondContact O-N 3.09Å; V161-M164 HydrophobicContact CG2-CE 4.13Å; V161-M164 PolarHBondContact O-N 2.8Å; R162-M164 PolarHBondContact O-N 3.42Å; M164-A168 PolarHBondContact O-N 3.1Å
165	N	93.7	Very high	80.2	Confident	38 Å²	38	56.8 Å²	56.8	20%	0.203	32%	0.323	C	S	.	.	H	α-helix	trans	-64.2	-48.8	171.5	-91.8	-49.2	0	0	0	111.5	R2 Y4 V161 R162 A168	R2-N165 PolarHBondContact NH1-OD1 2.99Å; Y4-N165 PolarHBondContact OH-ND2 3.27Å; Y4-N165 PolarHBondContact OH-OD1 3.48Å; V161-N165 WeakPolarHBondContact O-CB 3.49Å; V161-N165 PolarHBondContact O-N 2.78Å; V161-N165 PolarHBondContact O-ND2 3.37Å; R162-N165 WeakPolarHBondContact O-CB 3.2Å; R162-N165 PolarHBondContact O-N 3.46Å; N165-A168 PolarHBondContact O-N 2.96Å
166	Y	88.4	Confident	77.4	Confident	88 Å²	88	58.1 Å²	58.1	35%	0.345	34%	0.341	S	S	.	.	H	α-helix	trans	-62.6	-47.1	-178.4	-175.7	-86.2	0	0	0	111.9	R108 R162 Q163 A168 Q169	R108-Y166 VanDerWaalsContact CZ-CD1 3.48Å; R162-Y166 WeakPolarHBondContact O-CB 3.47Å; R162-Y166 PolarHBondContact O-N 3.29Å; Q163-Y166 PolarHBondContact O-N 2.58Å; Y166-A168 PolarHBondContact O-N 3.3Å; Y166-A168 VanDerWaalsContact O-N 3.16Å; Y166-Q169 WeakPolarHBondContact O-CB 3.41Å; Y166-Q169 PolarHBondContact O-N 3.13Å
167	A	84	Confident	74.5	Confident	43 Å²	43	63.5 Å²	63.5	36%	0.355	38%	0.377	S	S	.	.	H	α-helix	trans	-66.9	-16.3	-179.8	0	0	0	0	0	114.3	P110 Q163 Q169	P110-A167 HydrophobicContact CG-CB 3.53Å; Q163-A167 PolarHBondContact O-N 2.96Å; A167-Q169 VanDerWaalsContact C-N 3.3Å
168	A	77.6	Confident	71.8	Confident	59 Å²	59	68.8 Å²	68.8	49%	0.488	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-6.2	174.8	0	0	0	0	0	113.1	M164 N165 Y166	M164-A168 PolarHBondContact O-N 3.1Å; N165-A168 PolarHBondContact O-N 2.96Å; Y166-A168 PolarHBondContact O-N 3.3Å; Y166-A168 VanDerWaalsContact O-N 3.16Å
169	Q	66.1	Low	69	Low	110 Å²	110	72.8 Å²	72.8	51%	0.514	45%	0.447	S	S	.	.			trans	-80.5	131.7	-179.4	-61.5	-177.5	7	0	0	110.6	Y166 A167 N171 G172	Y166-Q169 WeakPolarHBondContact O-CB 3.41Å; Y166-Q169 PolarHBondContact O-N 3.13Å; A167-Q169 VanDerWaalsContact C-N 3.3Å; Q169-N171 PolarHBondContact O-N 3.45Å; Q169-G172 PolarHBondContact O-N 3.21Å
170	P	55.9	Low	65.9	Low	126 Å²	126	76.1 Å²	76.1	82%	0.818	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.5	-179	23.9	-32.2	0	0	0	113.7
171	N	53.5	Low	63.1	Low	113 Å²	113	82.4 Å²	82.4	60%	0.604	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	20.4	-175	-63.3	8.2	0	0	0	113	Q169 D173	Q169-N171 PolarHBondContact O-N 3.45Å; N171-D173 PolarHBondContact O-N 3.29Å
172	G	50.6	Low	60.4	Low	22 Å²	22	89.7 Å²	89.7	23%	0.227	55%	0.549	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-7.8	176.2	0	0	0	0	0	115	Q169	Q169-G172 PolarHBondContact O-N 3.21Å
173	D	49.3	Very low	57.4	Low	123 Å²	123	98 Å²	98	66%	0.658	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	0.3	-171.6	-69.9	-24.4	0	0	0	116.1	N171 G175	N171-D173 PolarHBondContact O-N 3.29Å; D173-G175 VanDerWaalsContact C-N 3.3Å; D173-G175 PolarHBondContact O-N 3.24Å
174	E	46.6	Very low	55.4	Low	175 Å²	175	101.9 Å²	101.9	82%	0.818	62%	0.622	S	S	*	*			trans	-85.7	67.9	177.6	-70.7	-169.3	166.7	0	0	112
175	G	37.2	Very low	53.3	Low	70 Å²	70	106.8 Å²	106.8	72%	0.722	65%	0.652	S	S	*	*	S	Bend	trans	-152	6	-170.2	0	0	0	0	0	119.9	D173	D173-G175 VanDerWaalsContact C-N 3.3Å; D173-G175 PolarHBondContact O-N 3.24Å
176	C	40.2	Very low	51	Low	117 Å²	117	110.6 Å²	110.6	79%	0.791	68%	0.677	S	S	*	*	S	Bend	trans	-165.4	58.3	167.8	-145.1	0	0	0	0	115.6
177	C	36.6	Very low	48.8	Very low	112 Å²	112	111.9 Å²	111.9	76%	0.757	70%	0.697	S	S	*	*			trans	-129.5	68.5	158.4	-83.3	0	0	0	0	110.4	A179	C177-A179 PolarHBondContact O-N 2.89Å
178	S	43.6	Very low	46.6	Very low	113 Å²	113	116.3 Å²	116.3	79%	0.79	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	4.1	162.3	45	0	0	0	0	113
179	A	39.3	Very low	44.6	Very low	94 Å²	94	120.1 Å²	120.1	78%	0.777	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-2.2	-180	0	0	0	0	0	115.3	C177 V181	C177-A179 PolarHBondContact O-N 2.89Å; A179-V181 VanDerWaalsContact C-N 3.28Å; A179-V181 PolarHBondContact O-N 3.12Å
180	C	34.1	Very low	43	Very low	104 Å²	104	120.8 Å²	120.8	70%	0.703	75%	0.749	S	S	*	*			trans	-92.4	61.2	168.1	-80.8	0	0	0	0	110.7	I182	C180-I182 VanDerWaalsContact C-N 3.33Å; C180-I182 PolarHBondContact O-N 3.01Å
181	V	38.9	Very low	42	Very low	131 Å²	131	120.4 Å²	120.4	79%	0.794	74%	0.744	S	S	*	*			trans	-76.5	98.5	155.3	-175.9	0	0	0	0	105.5	A179	A179-V181 VanDerWaalsContact C-N 3.28Å; A179-V181 PolarHBondContact O-N 3.12Å
182	I	41.7	Very low	41.1	Very low	153 Å²	153	121 Å²	121	79%	0.785	76%	0.755	S	S	*	*			trans	-58.7	131.7	175.7	-63.7	168.5	0	0	0	108.3	C180	C180-I182 VanDerWaalsContact C-N 3.33Å; C180-I182 PolarHBondContact O-N 3.01Å
183	L	35	Very low	40.2	Very low	238 Å²	238	130 Å²	130	100%	1.246	80%	0.804	S	S	*	*			trans	-56.5	0	166.9	-77.7	162.5	0	0	0	112.3

Retrieved 183 of 183 residues in 224.5 ms (Link to these results)

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