A0A096N9G0_PAPAN Loading...

Ras-related protein Rap-2

Small GTP-binding protein which cycles between a GDP-bound inactive and a GTP-bound active form. Involved in EGFR and CHRM3 signaling pathways through stimulation of PLCE1. May play a role in cytoskeletal rearrangements and regulate cell spreading through activation of the effector TNIK. May regulate membrane vesiculation in red blood cells.

AlphaFold DB (Q06AU2), UniProt , Accession A0A096N9G0, Species PAPAN (Papio anubis, Olive baboon), Gene RAP2B, 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 134.9 ms (Link to these results)

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