A0A096MMR7_PAPAN Loading...

E2 ubiquitin-conjugating enzyme

AlphaFold DB (A0A2K6M734), UniProt , Accession A0A096MMR7, Species PAPAN (Papio anubis, Olive baboon), Gene UBE2B, Length 152 aa.

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(Predicted Aligned Error values between residue pairs)

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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	57.3	Low	92.4	Very high	233 Å²	233	89.3 Å²	89.3	100%	1.148	43%	0.425	S	S	*	.				0	138.4	0	-73.5	-158.1	-90.9	0	0	108.8	T3	M1-T3 PolarHBondContact O-N 2.87Å
2	S	82.4	Confident	92.9	Very high	73 Å²	73	82.1 Å²	82.1	51%	0.51	39%	0.391	S	S	.	.			trans	-74.7	121.7	178.8	-171.6	0	0	0	0	110.4	R7	S2-R7 WeakPolarHBondContact OG-CG 3.42Å
3	T	95.4	Very high	93.2	Very high	36 Å²	36	78.8 Å²	78.8	22%	0.221	37%	0.374	C	S	.	.			trans	-72.7	162.2	177.4	65	0	0	0	0	111.1	M1 A5 R6 R7 E61	M1-T3 PolarHBondContact O-N 2.87Å; T3-A5 VanDerWaalsContact C-N 3.29Å; T3-A5 PolarHBondContact O-N 2.98Å; T3-R6 PolarHBondContact O-N 3.44Å; T3-R6 VanDerWaalsContact OG1-CG 3.27Å; T3-R6 WeakPolarHBondContact OG1-CG 3.48Å; T3-R6 PolarHBondContact OG1-N 3.32Å; T3-R7 PolarHBondContact O-N 3.03Å; T3-E61 WeakPolarHBondContact CB-OE2 3.37Å; T3-E61 VanDerWaalsContact CG2-OE2 3.3Å; T3-E61 WeakPolarHBondContact CG2-OE2 3.34Å; T3-E61 PolarHBondContact OG1-OE2 3.12Å
4	P	97.2	Very high	93.5	Very high	95 Å²	95	81.3 Å²	81.3	62%	0.617	38%	0.383	S	S	*	.	H	α-helix	trans	-54.2	-43.5	171.5	-25.8	35.5	0	0	0	112.9	R7 R8	P4-R7 PolarHBondContact O-N 2.97Å; P4-R8 WeakPolarHBondContact O-CB 3.4Å; P4-R8 PolarHBondContact O-N 3.37Å
5	A	97.9	Very high	93.7	Very high	0 Å²	0	84.7 Å²	84.7	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-58.9	-48.2	177.2	0	0	0	0	0	111.9	T3 R7 R8 L9 M34 Y63	T3-A5 VanDerWaalsContact C-N 3.29Å; T3-A5 PolarHBondContact O-N 2.98Å; A5-R7 PolarHBondContact O-N 3.24Å; A5-R8 WeakPolarHBondContact O-CB 3.28Å; A5-R8 PolarHBondContact O-N 3.06Å; A5-R8 VanDerWaalsContact O-N 3.17Å; A5-L9 WeakPolarHBondContact O-CG 3.46Å; A5-L9 PolarHBondContact O-N 3.07Å; A5-M34 HydrophobicContact CB-CE 4.14Å; A5-Y63 WeakPolarHBondContact CA-O 3.49Å; A5-Y63 VanDerWaalsContact CB-O 3.27Å; A5-Y63 WeakPolarHBondContact CB-O 3.44Å
6	R	97.5	Very high	93.8	Very high	100 Å²	100	79.9 Å²	79.9	38%	0.377	37%	0.369	S	S	.	.	H	α-helix	trans	-64.4	-39.6	178.1	-66.5	176.9	-165.2	-157.1	-0.9	112.9	T3 R8 L9 M10 I33 M34 E61	T3-R6 PolarHBondContact O-N 3.44Å; T3-R6 VanDerWaalsContact OG1-CG 3.27Å; T3-R6 WeakPolarHBondContact OG1-CG 3.48Å; T3-R6 PolarHBondContact OG1-N 3.32Å; R6-R8 VanDerWaalsContact C-N 3.3Å; R6-R8 PolarHBondContact O-N 3.27Å; R6-L9 PolarHBondContact O-N 3.07Å; R6-M10 WeakPolarHBondContact O-CG 3.39Å; R6-M10 PolarHBondContact O-N 3.46Å; R6-I33 HydrophobicContact CB-CG2 4.25Å; R6-I33 HydrophobicContact CG-CG2 3.74Å; R6-M34 HydrophobicContact CG-SD 3.71Å; R6-E61 IonicContact CZ-OE1 3.52Å; R6-E61 IonicContact NE-OE1 3.11Å; R6-E61 PolarHBondContact NE-OE1 3.38Å; R6-E61 VanDerWaalsContact NE-OE1 3.11Å; R6-E61 IonicContact NH2-OE1 3.06Å; R6-E61 PolarHBondContact NH2-OE1 3.29Å
7	R	97.6	Very high	93.9	Very high	160 Å²	160	82.8 Å²	82.8	60%	0.604	38%	0.382	S	S	*	.	H	α-helix	trans	-63.2	-38.9	174.1	-73.9	-172.9	-71.1	178	-1.3	111.7	S2 T3 P4 A5 R11	S2-R7 WeakPolarHBondContact OG-CG 3.42Å; T3-R7 PolarHBondContact O-N 3.03Å; P4-R7 PolarHBondContact O-N 2.97Å; A5-R7 PolarHBondContact O-N 3.24Å; R7-R11 PolarHBondContact O-N 2.69Å
8	R	98.1	Very high	94	Very high	27 Å²	27	85.8 Å²	85.8	10%	0.102	40%	0.397	C	S	.	.	H	α-helix	trans	-61.7	-49	173.8	171.1	64.6	-169.5	-97.3	-6.5	110.7	P4 A5 R6 M10 R11 D12 Y63 P64 P98 Y100	P4-R8 WeakPolarHBondContact O-CB 3.4Å; P4-R8 PolarHBondContact O-N 3.37Å; A5-R8 WeakPolarHBondContact O-CB 3.28Å; A5-R8 PolarHBondContact O-N 3.06Å; A5-R8 VanDerWaalsContact O-N 3.17Å; R6-R8 VanDerWaalsContact C-N 3.3Å; R6-R8 PolarHBondContact O-N 3.27Å; R8-M10 VanDerWaalsContact C-N 3.32Å; R8-M10 PolarHBondContact O-N 2.86Å; R8-R11 VanDerWaalsContact NE-NH2 3.18Å; R8-R11 WeakPolarHBondContact O-CA 3.45Å; R8-R11 WeakPolarHBondContact O-CB 3.26Å; R8-R11 PolarHBondContact O-N 3.35Å; R8-D12 WeakPolarHBondContact CD-OD1 3.49Å; R8-D12 IonicContact CZ-OD1 3.78Å; R8-D12 IonicContact CZ-OD2 3.67Å; R8-D12 IonicContact NE-OD1 3.36Å; R8-D12 PolarHBondContact NE-OD1 2.97Å; R8-D12 IonicContact NE-OD2 2.76Å; R8-D12 PolarHBondContact NE-OD2 2.86Å; R8-D12 IonicContact NH2-OD1 3.7Å; R8-D12 IonicContact NH2-OD2 3.68Å; R8-D12 PolarHBondContact NH2-OD2 3.31Å; R8-D12 PolarHBondContact O-N 2.98Å; R8-Y63 HydrophobicContact CB-CD1 4.46Å; R8-Y63 HydrophobicContact CB-CE1 4.45Å; R8-Y63 HydrophobicContact CG-CD1 3.83Å; R8-Y63 HydrophobicContact CG-CE1 3.44Å; R8-Y63 VanDerWaalsContact CG-CE1 3.44Å; R8-P64 HydrophobicContact CG-CB 4.42Å; R8-P64 HydrophobicContact CG-CG 4.31Å; R8-P98 PolarHBondContact NH1-O 2.8Å; R8-Y100 PolarHBondContact NH2-O 3.34Å
9	L	98.3	Very high	93.9	Very high	0 Å²	0	87.3 Å²	87.3	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-62.7	-36.2	-179.5	-70	167.5	0	0	0	113.2	A5 R6 R11 D12 F13 I33 M34 W36 F59 Y63	A5-L9 WeakPolarHBondContact O-CG 3.46Å; A5-L9 PolarHBondContact O-N 3.07Å; R6-L9 PolarHBondContact O-N 3.07Å; L9-R11 VanDerWaalsContact C-N 3.26Å; L9-R11 PolarHBondContact O-N 3.02Å; L9-D12 PolarHBondContact O-N 3Å; L9-F13 WeakPolarHBondContact O-CB 3.43Å; L9-F13 PolarHBondContact O-N 2.76Å; L9-I33 HydrophobicContact CB-CD1 3.87Å; L9-I33 HydrophobicContact CB-CG1 3.95Å; L9-M34 HydrophobicContact CD1-SD 3.54Å; L9-M34 VanDerWaalsContact CD1-SD 3.54Å; L9-W36 HydrophobicContact CB-CZ2 4.44Å; L9-W36 HydrophobicContact CD2-CZ2 4.33Å; L9-F59 HydrophobicContact CD1-CB 4.03Å; L9-F59 HydrophobicContact CD1-CD1 4.39Å; L9-F59 HydrophobicContact CD1-CD2 4.26Å; L9-F59 HydrophobicContact CD1-CG 3.97Å; L9-F59 HydrophobicContact CD2-CD1 3.54Å; L9-F59 HydrophobicContact CD2-CD2 3.98Å; L9-F59 HydrophobicContact CD2-CE1 3.46Å; L9-F59 VanDerWaalsContact CD2-CE1 3.46Å; L9-F59 HydrophobicContact CD2-CE2 3.92Å; L9-F59 HydrophobicContact CD2-CG 3.81Å; L9-F59 HydrophobicContact CD2-CZ 3.66Å; L9-Y63 HydrophobicContact CD2-CD1 3.76Å; L9-Y63 HydrophobicContact CD2-CE1 3.6Å; L9-Y63 HydrophobicContact CG-CD1 3.9Å; L9-Y63 HydrophobicContact CG-CE1 4.1Å
10	M	97.1	Very high	93.9	Very high	107 Å²	107	86.6 Å²	86.6	53%	0.527	41%	0.412	S	S	.	.	H	α-helix	trans	-60.6	-37	172.5	-73.2	-58.5	-58.9	0	0	112.4	R6 R8 K14 I33	R6-M10 WeakPolarHBondContact O-CG 3.39Å; R6-M10 PolarHBondContact O-N 3.46Å; R8-M10 VanDerWaalsContact C-N 3.32Å; R8-M10 PolarHBondContact O-N 2.86Å; M10-K14 WeakPolarHBondContact O-CB 3.42Å; M10-K14 PolarHBondContact O-N 3.07Å; M10-I33 HydrophobicContact CB-CD1 4.49Å; M10-I33 HydrophobicContact CG-CD1 3.54Å; M10-I33 HydrophobicContact SD-CD1 3.3Å; M10-I33 WeakPolarHBondContact SD-CD1 3.45Å
11	R	97.5	Very high	93.9	Very high	151 Å²	151	84 Å²	84	57%	0.57	40%	0.402	S	S	*	.	H	α-helix	trans	-70.5	-42.9	176.1	-177.5	-179.1	66.2	-155	12.1	111.4	R7 R8 L9 F13 K14 R15	R7-R11 PolarHBondContact O-N 2.69Å; R8-R11 VanDerWaalsContact NE-NH2 3.18Å; R8-R11 WeakPolarHBondContact O-CA 3.45Å; R8-R11 WeakPolarHBondContact O-CB 3.26Å; R8-R11 PolarHBondContact O-N 3.35Å; L9-R11 VanDerWaalsContact C-N 3.26Å; L9-R11 PolarHBondContact O-N 3.02Å; R11-F13 VanDerWaalsContact C-N 3.28Å; R11-F13 PolarHBondContact O-N 2.65Å; R11-K14 PolarHBondContact O-N 2.97Å; R11-R15 PolarHBondContact O-N 3.28Å
12	D	98.1	Very high	95.7	Very high	3 Å²	3	79.4 Å²	79.4	2%	0.016	39%	0.386	C	S	.	.	H	α-helix	trans	-64.1	-38	178.3	-68.9	20.5	0	0	0	110.7	R8 L9 R15 L16 Y63 D101 V102	R8-D12 WeakPolarHBondContact CD-OD1 3.49Å; R8-D12 IonicContact CZ-OD1 3.78Å; R8-D12 IonicContact CZ-OD2 3.67Å; R8-D12 IonicContact NE-OD1 3.36Å; R8-D12 PolarHBondContact NE-OD1 2.97Å; R8-D12 IonicContact NE-OD2 2.76Å; R8-D12 PolarHBondContact NE-OD2 2.86Å; R8-D12 IonicContact NH2-OD1 3.7Å; R8-D12 IonicContact NH2-OD2 3.68Å; R8-D12 PolarHBondContact NH2-OD2 3.31Å; R8-D12 PolarHBondContact O-N 2.98Å; L9-D12 PolarHBondContact O-N 3Å; D12-R15 PolarHBondContact O-N 3.4Å; D12-L16 WeakPolarHBondContact O-CB 3.38Å; D12-L16 PolarHBondContact O-N 3.26Å; D12-Y63 PolarHBondContact OD2-OH 3.5Å; D12-D101 HydrophobicContact CB-CB 4.39Å; D12-D101 WeakPolarHBondContact OD2-CA 3.29Å; D12-D101 VanDerWaalsContact OD2-CB 3.25Å; D12-D101 WeakPolarHBondContact OD2-CB 3.39Å; D12-V102 HydrophobicContact CB-CB 4.46Å; D12-V102 HydrophobicContact CB-CG2 3.96Å
13	F	97.7	Very high	96.4	Very high	39 Å²	39	77 Å²	77	17%	0.171	37%	0.373	C	S	.	.	H	α-helix	trans	-64.9	-46.7	174.6	-175.4	-129.2	0	0	0	111.8	L9 R11 R15 L16 Q17 A27 P28 W36	L9-F13 WeakPolarHBondContact O-CB 3.43Å; L9-F13 PolarHBondContact O-N 2.76Å; R11-F13 VanDerWaalsContact C-N 3.28Å; R11-F13 PolarHBondContact O-N 2.65Å; F13-R15 VanDerWaalsContact C-N 3.3Å; F13-R15 PolarHBondContact O-N 3.37Å; F13-L16 PolarHBondContact O-N 2.63Å; F13-Q17 HydrophobicContact CD2-CG 4.35Å; F13-Q17 HydrophobicContact CE2-CG 4Å; F13-Q17 HydrophobicContact CZ-CG 4.11Å; F13-Q17 WeakPolarHBondContact O-CG 3.44Å; F13-Q17 PolarHBondContact O-N 3.05Å; F13-A27 HydrophobicContact CE2-CB 3.85Å; F13-A27 HydrophobicContact CZ-CB 4.39Å; F13-P28 HydrophobicContact CD1-CG 4.37Å; F13-P28 VanDerWaalsContact CD2-CD 3.41Å; F13-P28 HydrophobicContact CD2-CG 4.34Å; F13-P28 HydrophobicContact CE1-CG 4.38Å; F13-P28 HydrophobicContact CE2-CG 4.38Å; F13-P28 HydrophobicContact CG-CG 4.34Å; F13-P28 HydrophobicContact CZ-CG 4.37Å; F13-W36 VanDerWaalsContact CA-CH2 3.45Å; F13-W36 HydrophobicContact CB-CH2 3.47Å; F13-W36 VanDerWaalsContact CB-CH2 3.47Å; F13-W36 HydrophobicContact CB-CZ2 3.83Å; F13-W36 HydrophobicContact CB-CZ3 4.39Å; F13-W36 AromaticContact CD2-CH2 3.87Å; F13-W36 HydrophobicContact CD2-CH2 3.87Å; F13-W36 AromaticContact CD2-CZ3 3.98Å; F13-W36 HydrophobicContact CD2-CZ3 3.98Å; F13-W36 HydrophobicContact CG-CH2 4.09Å
14	K	97.1	Very high	96.4	Very high	114 Å²	114	75.6 Å²	75.6	50%	0.496	37%	0.365	S	S	.	.	H	α-helix	trans	-57.1	-45.5	175.2	-178.3	177.1	174.3	-179.3	0	111.4	M10 R11 L16 Q17 E18	M10-K14 WeakPolarHBondContact O-CB 3.42Å; M10-K14 PolarHBondContact O-N 3.07Å; R11-K14 PolarHBondContact O-N 2.97Å; K14-L16 PolarHBondContact O-N 2.89Å; K14-Q17 PolarHBondContact O-N 2.92Å; K14-E18 WeakPolarHBondContact CE-OE1 3.4Å; K14-E18 WeakPolarHBondContact CE-OE2 3.35Å; K14-E18 HydrophobicContact CG-CG 4.34Å; K14-E18 IonicContact NZ-OE1 3.95Å; K14-E18 PolarHBondContact NZ-OE1 3.31Å; K14-E18 WeakPolarHBondContact O-CB 3.5Å; K14-E18 WeakPolarHBondContact O-CG 3.4Å; K14-E18 PolarHBondContact O-N 3.13Å
15	R	95.9	Very high	96.4	Very high	133 Å²	133	73.5 Å²	73.5	50%	0.502	35%	0.352	S	S	.	.	H	α-helix	trans	-61.1	-45.4	177.8	-173.9	-178.8	-177.9	173.1	1.5	111.6	R11 D12 F13 Q17 E18 D19 D101	R11-R15 PolarHBondContact O-N 3.28Å; D12-R15 PolarHBondContact O-N 3.4Å; F13-R15 VanDerWaalsContact C-N 3.3Å; F13-R15 PolarHBondContact O-N 3.37Å; R15-Q17 PolarHBondContact O-N 2.83Å; R15-E18 PolarHBondContact O-N 3.36Å; R15-D19 PolarHBondContact O-N 3.06Å; R15-D101 WeakPolarHBondContact CD-OD2 3.31Å; R15-D101 IonicContact CZ-OD2 3.93Å; R15-D101 VanDerWaalsContact CZ-OD2 3.28Å; R15-D101 IonicContact NE-OD2 3.45Å; R15-D101 PolarHBondContact NE-OD2 3.1Å; R15-D101 IonicContact NH1-OD2 3.28Å; R15-D101 PolarHBondContact NH1-OD2 2.95Å
16	L	96.1	Very high	96.3	Very high	8 Å²	8	74.3 Å²	74.3	4%	0.042	36%	0.36	C	S	.	.	H	α-helix	trans	-63.7	-30.7	178.6	-172.4	63	0	0	0	112.4	D12 F13 K14 P20 G26 W36 V102 S103 L106	D12-L16 WeakPolarHBondContact O-CB 3.38Å; D12-L16 PolarHBondContact O-N 3.26Å; F13-L16 PolarHBondContact O-N 2.63Å; K14-L16 PolarHBondContact O-N 2.89Å; L16-P20 WeakPolarHBondContact O-CA 3.41Å; L16-P20 WeakPolarHBondContact O-CB 3.34Å; L16-G26 VanDerWaalsContact CD2-O 3.28Å; L16-G26 WeakPolarHBondContact CD2-O 3.5Å; L16-W36 HydrophobicContact CD2-CZ3 3.91Å; L16-V102 HydrophobicContact CD2-CG1 4.19Å; L16-S103 WeakPolarHBondContact CD1-OG 3.47Å; L16-L106 HydrophobicContact CD2-CD1 4.43Å
17	Q	94.8	Very high	96.3	Very high	128 Å²	128	71.5 Å²	71.5	60%	0.598	36%	0.358	S	S	*	.	H	α-helix	trans	-77.1	-38.3	174.5	-71.6	-172.3	-37.6	0	0	113.5	F13 K14 R15	F13-Q17 HydrophobicContact CD2-CG 4.35Å; F13-Q17 HydrophobicContact CE2-CG 4Å; F13-Q17 HydrophobicContact CZ-CG 4.11Å; F13-Q17 WeakPolarHBondContact O-CG 3.44Å; F13-Q17 PolarHBondContact O-N 3.05Å; K14-Q17 PolarHBondContact O-N 2.92Å; R15-Q17 PolarHBondContact O-N 2.83Å
18	E	95.4	Very high	96.3	Very high	137 Å²	137	65.5 Å²	65.5	64%	0.64	34%	0.34	S	S	*	.	H	α-helix	trans	-77.2	-36.2	-177.6	-73.3	179	157.2	0	0	112.5	K14 R15	K14-E18 WeakPolarHBondContact CE-OE1 3.4Å; K14-E18 WeakPolarHBondContact CE-OE2 3.35Å; K14-E18 HydrophobicContact CG-CG 4.34Å; K14-E18 IonicContact NZ-OE1 3.95Å; K14-E18 PolarHBondContact NZ-OE1 3.31Å; K14-E18 WeakPolarHBondContact O-CB 3.5Å; K14-E18 WeakPolarHBondContact O-CG 3.4Å; K14-E18 PolarHBondContact O-N 3.13Å; R15-E18 PolarHBondContact O-N 3.36Å
19	D	93.2	Very high	96.2	Very high	114 Å²	114	65.8 Å²	65.8	61%	0.61	35%	0.346	S	S	*	.	S	Bend	trans	-141.2	71.9	-177.1	-172.5	30.3	0	0	0	110.2	R15	R15-D19 PolarHBondContact O-N 3.06Å
20	P	92.6	Very high	95.8	Very high	74 Å²	74	74.9 Å²	74.9	48%	0.481	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-69.2	128.2	180	26.3	-32.1	0	0	0	110.5	L16	L16-P20 WeakPolarHBondContact O-CA 3.41Å; L16-P20 WeakPolarHBondContact O-CB 3.34Å
21	P	95.3	Very high	95.6	Very high	33 Å²	33	77.3 Å²	77.3	21%	0.214	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-62.5	148.4	171.6	-13.9	26.2	0	0	0	110.9	G23 V24 T107	P21-G23 PolarHBondContact O-N 3.2Å; P21-V24 HydrophobicContact CB-CG2 3.71Å; P21-V24 HydrophobicContact CG-CG2 3.81Å; P21-V24 PolarHBondContact O-N 3.07Å; P21-T107 WeakPolarHBondContact CB-OG1 3.24Å
22	V	95.4	Very high	95.4	Very high	135 Å²	135	72.7 Å²	72.7	82%	0.818	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	134	-179.4	178	0	0	0	0	110.4	V24 Q110	V22-V24 VanDerWaalsContact C-N 3.26Å; V22-V24 PolarHBondContact O-N 3.13Å; V22-Q110 PolarHBondContact O-NE2 3.14Å; V22-Q110 PolarHBondContact O-OE1 3.04Å
23	G	95.8	Very high	95.4	Very high	22 Å²	22	74.1 Å²	74.1	23%	0.227	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	11.4	174.2	0	0	0	0	0	114.9	P21 F41 Q110	P21-G23 PolarHBondContact O-N 3.2Å; G23-F41 WeakPolarHBondContact O-CD2 3.43Å; G23-F41 PolarHBondContact O-N 3.43Å; G23-Q110 PolarHBondContact O-NE2 3.24Å
24	V	96.8	Very high	95.4	Very high	8 Å²	8	73 Å²	73	5%	0.048	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	150.5	171.1	-49.4	0	0	0	0	111.3	P21 V22 V39 I40 L106 Q110	P21-V24 HydrophobicContact CB-CG2 3.71Å; P21-V24 HydrophobicContact CG-CG2 3.81Å; P21-V24 PolarHBondContact O-N 3.07Å; V22-V24 VanDerWaalsContact C-N 3.26Å; V22-V24 PolarHBondContact O-N 3.13Å; V24-V39 CarbonylContact C-O 3.57Å; V24-V39 WeakPolarHBondContact CA-O 3.41Å; V24-I40 HydrophobicContact CG1-CG1 4.05Å; V24-L106 HydrophobicContact CB-CB 3.97Å; V24-L106 HydrophobicContact CB-CD1 4.38Å; V24-L106 HydrophobicContact CG1-CB 4.15Å; V24-L106 HydrophobicContact CG2-CB 3.94Å; V24-L106 HydrophobicContact CG2-CD1 4.32Å; V24-Q110 HydrophobicContact CG1-CB 4.08Å; V24-Q110 HydrophobicContact CG1-CG 4.47Å
25	S	95.8	Very high	95.4	Very high	51 Å²	51	71.1 Å²	71.1	36%	0.357	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	155.9	172.1	65.7	0	0	0	0	110.4	A38 V39	S25-A38 CarbonylContact O-C 3.6Å; S25-A38 WeakPolarHBondContact O-CA 3.42Å; S25-A38 VanDerWaalsContact O-CB 3.27Å; S25-A38 WeakPolarHBondContact O-CB 3.37Å; S25-V39 PolarHBondContact N-O 2.87Å; S25-V39 PolarHBondContact O-N 3.37Å
26	G	96.9	Very high	95.6	Very high	16 Å²	16	64.8 Å²	64.8	17%	0.165	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	153.1	176.4	0	0	0	0	0	113.1	L16 N37	L16-G26 VanDerWaalsContact CD2-O 3.28Å; L16-G26 WeakPolarHBondContact CD2-O 3.5Å; G26-N37 CarbonylContact C-O 3.57Å; G26-N37 VanDerWaalsContact CA-O 3.26Å; G26-N37 WeakPolarHBondContact CA-O 3.29Å
27	A	97.6	Very high	95.7	Very high	41 Å²	41	68.4 Å²	68.4	34%	0.339	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	150.5	178	0	0	0	0	0	111.2	F13 W36 N37	F13-A27 HydrophobicContact CE2-CB 3.85Å; F13-A27 HydrophobicContact CZ-CB 4.39Å; A27-W36 CarbonylContact O-C 2.89Å; A27-W36 VanDerWaalsContact O-CA 3.24Å; A27-W36 WeakPolarHBondContact O-CA 3.16Å; A27-W36 WeakPolarHBondContact O-CB 3.33Å; A27-N37 PolarHBondContact N-O 3.23Å; A27-N37 PolarHBondContact O-N 3.41Å
28	P	97.8	Very high	95.8	Very high	34 Å²	34	62.4 Å²	62.4	22%	0.221	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	148.2	169.1	27.7	-33.3	0	0	0	110.9	F13 I33 Q35 W36	F13-P28 HydrophobicContact CD1-CG 4.37Å; F13-P28 VanDerWaalsContact CD2-CD 3.41Å; F13-P28 HydrophobicContact CD2-CG 4.34Å; F13-P28 HydrophobicContact CE1-CG 4.38Å; F13-P28 HydrophobicContact CE2-CG 4.38Å; F13-P28 HydrophobicContact CG-CG 4.34Å; F13-P28 HydrophobicContact CZ-CG 4.37Å; P28-I33 HydrophobicContact CB-CG1 4.25Å; P28-Q35 CarbonylContact C-O 3.58Å; P28-Q35 WeakPolarHBondContact CA-O 3.49Å; P28-W36 HydrophobicContact CB-CD2 4.34Å; P28-W36 HydrophobicContact CB-CG 4.33Å
29	S	95.4	Very high	95.9	Very high	33 Å²	33	57.4 Å²	57.4	23%	0.231	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	144.6	167.3	-66.8	0	0	0	0	110.2	N31 N32 Q35 N37	S29-N31 PolarHBondContact O-N 3.42Å; S29-N32 CarbonylContact O-C 3.52Å; S29-N32 PolarHBondContact O-N 3.23Å; S29-Q35 PolarHBondContact N-O 3.32Å; S29-Q35 PolarHBondContact OG-O 2.81Å; S29-N37 PolarHBondContact OG-ND2 2.92Å
30	E	90.4	Very high	96.2	Very high	191 Å²	191	52 Å²	52	89%	0.893	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	-40.3	-172.2	-65.3	-177.3	168.3	0	0	114
31	N	91.1	Very high	96.4	Very high	159 Å²	159	53 Å²	53	85%	0.85	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-0.4	-173.5	-61.8	-50.2	0	0	0	113.8	S29	S29-N31 PolarHBondContact O-N 3.42Å
32	N	94.9	Very high	96.5	Very high	54 Å²	54	51.9 Å²	51.9	29%	0.289	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	99.2	-173.9	-172.5	5.7	0	0	0	112.4	S29 M34 Q35	S29-N32 CarbonylContact O-C 3.52Å; S29-N32 PolarHBondContact O-N 3.23Å; N32-M34 PolarHBondContact O-N 3.26Å; N32-M34 VanDerWaalsContact O-N 3.1Å; N32-M34 VanDerWaalsContact OD1-CB 3.32Å; N32-M34 WeakPolarHBondContact OD1-CB 3.28Å; N32-M34 PolarHBondContact OD1-N 3.24Å; N32-Q35 HydrophobicContact CB-CB 4.44Å; N32-Q35 VanDerWaalsContact ND2-CD 3.27Å; N32-Q35 WeakPolarHBondContact ND2-CG 3.07Å; N32-Q35 PolarHBondContact ND2-OE1 3.2Å; N32-Q35 PolarHBondContact O-N 2.91Å
33	I	96.7	Very high	96.6	Very high	32 Å²	32	46.4 Å²	46.4	16%	0.164	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	-17.9	175.3	-162.2	176.6	0	0	0	113.6	R6 L9 M10 P28 Q35 W36	R6-I33 HydrophobicContact CB-CG2 4.25Å; R6-I33 HydrophobicContact CG-CG2 3.74Å; L9-I33 HydrophobicContact CB-CD1 3.87Å; L9-I33 HydrophobicContact CB-CG1 3.95Å; M10-I33 HydrophobicContact CB-CD1 4.49Å; M10-I33 HydrophobicContact CG-CD1 3.54Å; M10-I33 HydrophobicContact SD-CD1 3.3Å; M10-I33 WeakPolarHBondContact SD-CD1 3.45Å; P28-I33 HydrophobicContact CB-CG1 4.25Å; I33-Q35 VanDerWaalsContact C-N 3.25Å; I33-Q35 PolarHBondContact O-N 3.48Å; I33-W36 PolarHBondContact O-NE1 2.9Å
34	M	97.9	Very high	96.7	Very high	15 Å²	15	53.5 Å²	53.5	7%	0.074	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-0.6	178.5	-49.1	-63.3	-94.5	0	0	112.4	A5 R6 L9 N32 F59 S60 E61	A5-M34 HydrophobicContact CB-CE 4.14Å; R6-M34 HydrophobicContact CG-SD 3.71Å; L9-M34 HydrophobicContact CD1-SD 3.54Å; L9-M34 VanDerWaalsContact CD1-SD 3.54Å; N32-M34 PolarHBondContact O-N 3.26Å; N32-M34 VanDerWaalsContact O-N 3.1Å; N32-M34 VanDerWaalsContact OD1-CB 3.32Å; N32-M34 WeakPolarHBondContact OD1-CB 3.28Å; N32-M34 PolarHBondContact OD1-N 3.24Å; M34-F59 HydrophobicContact CB-CB 4.38Å; M34-F59 WeakPolarHBondContact O-CD2 3.5Å; M34-F59 PolarHBondContact O-N 2.87Å; M34-S60 VanDerWaalsContact CE-C 3.46Å; M34-S60 WeakPolarHBondContact CE-O 3.5Å; M34-E61 HydrophobicContact CE-CB 4.47Å; M34-E61 VanDerWaalsContact CE-CD 3.4Å; M34-E61 HydrophobicContact CE-CG 3.91Å
35	Q	98.4	Very high	96.6	Very high	76 Å²	76	56.6 Å²	56.6	36%	0.355	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.5	174.9	-76.4	176.2	-17.9	0	0	108.8	P28 S29 N32 I33 I57 E58	P28-Q35 CarbonylContact C-O 3.58Å; P28-Q35 WeakPolarHBondContact CA-O 3.49Å; S29-Q35 PolarHBondContact N-O 3.32Å; S29-Q35 PolarHBondContact OG-O 2.81Å; N32-Q35 HydrophobicContact CB-CB 4.44Å; N32-Q35 VanDerWaalsContact ND2-CD 3.27Å; N32-Q35 WeakPolarHBondContact ND2-CG 3.07Å; N32-Q35 PolarHBondContact ND2-OE1 3.2Å; N32-Q35 PolarHBondContact O-N 2.91Å; I33-Q35 VanDerWaalsContact C-N 3.25Å; I33-Q35 PolarHBondContact O-N 3.48Å; Q35-I57 CarbonylContact C-O 3.47Å; Q35-I57 WeakPolarHBondContact CA-O 3.5Å; Q35-E58 HydrophobicContact CG-CG 4.44Å
36	W	98.5	Very high	96.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145.4	-179.7	-70.2	44.6	0	0	0	110.2	L9 F13 L16 A27 P28 I33 V56 I57 F59 V102	L9-W36 HydrophobicContact CB-CZ2 4.44Å; L9-W36 HydrophobicContact CD2-CZ2 4.33Å; F13-W36 VanDerWaalsContact CA-CH2 3.45Å; F13-W36 HydrophobicContact CB-CH2 3.47Å; F13-W36 VanDerWaalsContact CB-CH2 3.47Å; F13-W36 HydrophobicContact CB-CZ2 3.83Å; F13-W36 HydrophobicContact CB-CZ3 4.39Å; F13-W36 AromaticContact CD2-CH2 3.87Å; F13-W36 HydrophobicContact CD2-CH2 3.87Å; F13-W36 AromaticContact CD2-CZ3 3.98Å; F13-W36 HydrophobicContact CD2-CZ3 3.98Å; F13-W36 HydrophobicContact CG-CH2 4.09Å; L16-W36 HydrophobicContact CD2-CZ3 3.91Å; A27-W36 CarbonylContact O-C 2.89Å; A27-W36 VanDerWaalsContact O-CA 3.24Å; A27-W36 WeakPolarHBondContact O-CA 3.16Å; A27-W36 WeakPolarHBondContact O-CB 3.33Å; P28-W36 HydrophobicContact CB-CD2 4.34Å; P28-W36 HydrophobicContact CB-CG 4.33Å; I33-W36 PolarHBondContact O-NE1 2.9Å; W36-V56 WeakPolarHBondContact O-CA 3.35Å; W36-I57 HydrophobicContact CB-CB 4.18Å; W36-I57 PolarHBondContact N-O 2.9Å; W36-I57 PolarHBondContact O-N 3.29Å; W36-F59 HydrophobicContact CB-CE2 4.26Å; W36-F59 AromaticContact CD1-CD2 3.86Å; W36-F59 AromaticContact CD1-CE2 3.38Å; W36-F59 HydrophobicContact CD2-CE2 4.25Å; W36-F59 AromaticContact CG-CE2 3.74Å; W36-F59 HydrophobicContact CG-CE2 3.74Å; W36-F59 AromaticContact NE1-CE2 3.71Å; W36-V102 HydrophobicContact CE3-CG1 3.94Å; W36-V102 HydrophobicContact CE3-CG2 4.42Å; W36-V102 HydrophobicContact CH2-CB 4.37Å; W36-V102 HydrophobicContact CH2-CG1 4.44Å; W36-V102 HydrophobicContact CH2-CG2 3.9Å; W36-V102 HydrophobicContact CZ2-CG2 4.31Å; W36-V102 HydrophobicContact CZ3-CB 4.13Å; W36-V102 HydrophobicContact CZ3-CG1 3.73Å; W36-V102 HydrophobicContact CZ3-CG2 4.01Å
37	N	98.1	Very high	96.7	Very high	83 Å²	83	55.8 Å²	55.8	44%	0.444	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.8	165.2	-61.4	-68.1	0	0	0	107.8	G26 A27 S29	G26-N37 CarbonylContact C-O 3.57Å; G26-N37 VanDerWaalsContact CA-O 3.26Å; G26-N37 WeakPolarHBondContact CA-O 3.29Å; A27-N37 PolarHBondContact N-O 3.23Å; A27-N37 PolarHBondContact O-N 3.41Å; S29-N37 PolarHBondContact OG-ND2 2.92Å
38	A	98	Very high	96.7	Very high	2 Å²	2	53.9 Å²	53.9	2%	0.017	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	157.9	177.6	0	0	0	0	0	110.8	S25 K54 L55 I57 L106	S25-A38 CarbonylContact O-C 3.6Å; S25-A38 WeakPolarHBondContact O-CA 3.42Å; S25-A38 VanDerWaalsContact O-CB 3.27Å; S25-A38 WeakPolarHBondContact O-CB 3.37Å; A38-K54 CarbonylContact O-C 3.58Å; A38-K54 WeakPolarHBondContact O-CA 3.42Å; A38-L55 HydrophobicContact CB-CB 4.39Å; A38-L55 PolarHBondContact N-O 3.32Å; A38-L55 PolarHBondContact O-N 3.29Å; A38-I57 HydrophobicContact CB-CD1 4.35Å; A38-L106 HydrophobicContact CB-CD1 4.15Å; A38-L106 HydrophobicContact CB-CD2 3.65Å
39	V	97.8	Very high	96.7	Very high	32 Å²	32	56.1 Å²	56.1	19%	0.194	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132	174.1	178.6	0	0	0	0	108	V24 S25 F41 T52 F53 K54	V24-V39 CarbonylContact C-O 3.57Å; V24-V39 WeakPolarHBondContact CA-O 3.41Å; S25-V39 PolarHBondContact N-O 2.87Å; S25-V39 PolarHBondContact O-N 3.37Å; V39-F41 HydrophobicContact CG1-CE1 4.35Å; V39-F41 HydrophobicContact CG1-CZ 4.28Å; V39-T52 HydrophobicContact CG1-CG2 3.5Å; V39-T52 VanDerWaalsContact CG1-CG2 3.5Å; V39-F53 CarbonylContact C-O 3.58Å; V39-F53 WeakPolarHBondContact CA-O 3.28Å; V39-K54 HydrophobicContact CG2-CG 4.34Å
40	I	98.1	Very high	96.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.8	169.5	-67.4	174.4	0	0	0	107.4	V24 F53 L55 L106 I109 Q110 L113	V24-I40 HydrophobicContact CG1-CG1 4.05Å; I40-F53 PolarHBondContact N-O 3.14Å; I40-F53 WeakPolarHBondContact O-CD2 3.27Å; I40-F53 PolarHBondContact O-N 2.87Å; I40-L55 HydrophobicContact CB-CD1 4.07Å; I40-L55 HydrophobicContact CD1-CD1 3.74Å; I40-L55 HydrophobicContact CD1-CD2 4.07Å; I40-L55 HydrophobicContact CG1-CD1 3.67Å; I40-L106 HydrophobicContact CD1-CD2 4.27Å; I40-L106 HydrophobicContact CG1-CD2 4.38Å; I40-I109 HydrophobicContact CD1-CB 3.66Å; I40-I109 HydrophobicContact CD1-CG2 3.4Å; I40-I109 VanDerWaalsContact CD1-CG2 3.4Å; I40-Q110 HydrophobicContact CG2-CB 3.87Å; I40-Q110 HydrophobicContact CG2-CG 3.98Å; I40-L113 HydrophobicContact CG2-CD1 3.93Å
41	F	97.9	Very high	97.1	Very high	95 Å²	95	51 Å²	51	42%	0.417	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	134.6	168.8	-61.6	-74.6	0	0	0	108.9	G23 V39 G51 T52 Q110	G23-F41 WeakPolarHBondContact O-CD2 3.43Å; G23-F41 PolarHBondContact O-N 3.43Å; V39-F41 HydrophobicContact CG1-CE1 4.35Å; V39-F41 HydrophobicContact CG1-CZ 4.28Å; F41-G51 WeakPolarHBondContact CA-O 3.5Å; F41-T52 HydrophobicContact CD1-CG2 4.45Å; F41-T52 HydrophobicContact CE1-CG2 4.06Å; F41-Q110 PolarHBondContact O-NE2 3.05Å
42	G	97.8	Very high	97.5	Very high	10 Å²	10	45.5 Å²	45.5	10%	0.103	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-56.1	130.4	176.4	0	0	0	0	0	111.7	F48 G51	G42-F48 VanDerWaalsContact CA-O 3.29Å; G42-F48 WeakPolarHBondContact CA-O 3.34Å; G42-G51 PolarHBondContact N-O 3.32Å
43	P	97.8	Very high	97.6	Very high	20 Å²	20	43 Å²	43	13%	0.13	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-64.8	142.8	-178.5	-17.8	29.6	0	0	0	112.2	T46 Q110 L113 D114	P43-T46 HydrophobicContact CB-CG2 3.8Å; P43-T46 HydrophobicContact CG-CG2 4.33Å; P43-T46 WeakPolarHBondContact O-CB 3.42Å; P43-T46 PolarHBondContact O-N 2.88Å; P43-T46 PolarHBondContact O-OG1 3.36Å; P43-Q110 HydrophobicContact CG-CG 3.85Å; P43-L113 HydrophobicContact CG-CB 4.23Å; P43-D114 HydrophobicContact CB-CB 4.41Å; P43-D114 HydrophobicContact CG-CB 4.25Å
44	E	96.2	Very high	97.7	Very high	172 Å²	172	44.3 Å²	44.3	80%	0.804	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	143.2	175	-66.8	-178	-176.6	0	0	111.4	T46	E44-T46 PolarHBondContact O-N 2.94Å
45	G	95.6	Very high	97.7	Very high	73 Å²	73	43.6 Å²	43.6	75%	0.753	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.9	3.9	-179.5	0	0	0	0	0	114.3	E49	G45-E49 PolarHBondContact N-OE2 3.3Å
46	T	97.1	Very high	97.7	Very high	12 Å²	12	40.7 Å²	40.7	7%	0.074	23%	0.229	C	C	.	.	S	Bend	trans	-107.6	160.5	176.1	77.7	0	0	0	0	110.8	P43 E44 F48 E49 D114	P43-T46 HydrophobicContact CB-CG2 3.8Å; P43-T46 HydrophobicContact CG-CG2 4.33Å; P43-T46 WeakPolarHBondContact O-CB 3.42Å; P43-T46 PolarHBondContact O-N 2.88Å; P43-T46 PolarHBondContact O-OG1 3.36Å; E44-T46 PolarHBondContact O-N 2.94Å; T46-F48 PolarHBondContact O-N 2.93Å; T46-F48 PolarHBondContact OG1-N 3.35Å; T46-E49 VanDerWaalsContact O-CB 3.28Å; T46-E49 WeakPolarHBondContact O-CB 3.43Å; T46-E49 PolarHBondContact O-N 2.98Å; T46-D114 HydrophobicContact CG2-CB 4.02Å; T46-D114 VanDerWaalsContact CG2-OD1 3.24Å; T46-D114 WeakPolarHBondContact CG2-OD1 3.35Å
47	P	97.6	Very high	97.7	Very high	38 Å²	38	40.7 Å²	40.7	25%	0.247	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-14.2	173.2	-23.5	36.7	0	0	0	113.8	Y137 E138 V141	P47-Y137 HydrophobicContact CG-CE1 4.2Å; P47-E138 HydrophobicContact CB-CG 4.08Å; P47-E138 HydrophobicContact CG-CG 3.74Å; P47-V141 HydrophobicContact CB-CB 3.98Å; P47-V141 HydrophobicContact CB-CG1 3.87Å; P47-V141 HydrophobicContact CB-CG2 4.45Å; P47-V141 VanDerWaalsContact O-CG1 3.26Å; P47-V141 WeakPolarHBondContact O-CG1 3.3Å
48	F	98.3	Very high	97.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-8.4	178.6	-66.6	-81.2	0	0	0	113.6	G42 T46 G51 F53 M76 H78 L113 Y137 V141	G42-F48 VanDerWaalsContact CA-O 3.29Å; G42-F48 WeakPolarHBondContact CA-O 3.34Å; T46-F48 PolarHBondContact O-N 2.93Å; T46-F48 PolarHBondContact OG1-N 3.35Å; F48-G51 WeakPolarHBondContact O-CA 3.49Å; F48-G51 PolarHBondContact O-N 3.06Å; F48-F53 HydrophobicContact CB-CE2 4.02Å; F48-F53 HydrophobicContact CB-CZ 4.28Å; F48-F53 AromaticContact CD1-CE2 3.98Å; F48-F53 HydrophobicContact CD1-CE2 3.98Å; F48-F53 AromaticContact CD1-CZ 3.73Å; F48-F53 HydrophobicContact CD1-CZ 3.73Å; F48-F53 HydrophobicContact CG-CE2 4.45Å; F48-M76 HydrophobicContact CD1-CE 4.34Å; F48-M76 HydrophobicContact CE1-CE 3.92Å; F48-H78 AromaticContact CE2-CD2 3.7Å; F48-H78 HydrophobicContact CZ-CB 4.09Å; F48-H78 AromaticContact CZ-CD2 3.59Å; F48-L113 HydrophobicContact CD1-CD2 4.43Å; F48-L113 HydrophobicContact CD2-CB 4.06Å; F48-L113 HydrophobicContact CD2-CD2 4.48Å; F48-L113 WeakPolarHBondContact CD2-O 3.44Å; F48-L113 HydrophobicContact CE1-CD2 4.33Å; F48-L113 HydrophobicContact CE2-CD2 4.39Å; F48-L113 HydrophobicContact CG-CB 4.39Å; F48-L113 HydrophobicContact CZ-CD2 4.34Å; F48-Y137 WeakPolarHBondContact CE2-OH 3.41Å; F48-V141 HydrophobicContact CD1-CG1 3.45Å; F48-V141 VanDerWaalsContact CD1-CG1 3.45Å; F48-V141 HydrophobicContact CD2-CG1 4.13Å; F48-V141 HydrophobicContact CE1-CG1 3.41Å; F48-V141 VanDerWaalsContact CE1-CG1 3.41Å; F48-V141 HydrophobicContact CE1-CG2 4.34Å; F48-V141 HydrophobicContact CE2-CG1 4.09Å; F48-V141 HydrophobicContact CG-CG1 3.8Å; F48-V141 HydrophobicContact CZ-CG1 3.72Å; F48-V141 HydrophobicContact CZ-CG2 4Å
49	E	98.1	Very high	97.8	Very high	81 Å²	81	41.4 Å²	41.4	38%	0.379	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.7	142.9	-179.4	-174.3	170.7	171	0	0	112.2	G45 T46 G51 V145	G45-E49 PolarHBondContact N-OE2 3.3Å; T46-E49 VanDerWaalsContact O-CB 3.28Å; T46-E49 WeakPolarHBondContact O-CB 3.43Å; T46-E49 PolarHBondContact O-N 2.98Å; E49-G51 PolarHBondContact O-N 3.46Å; E49-V145 WeakPolarHBondContact O-CG1 3.38Å
50	D	96.4	Very high	97.8	Very high	117 Å²	117	42.2 Å²	42.2	63%	0.626	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	-2.4	-172.9	-60	-39.4	0	0	0	116.3	W149	D50-W149 HydrophobicContact CB-CZ2 4.25Å; D50-W149 PolarHBondContact O-NE1 2.76Å
51	G	97.8	Very high	97.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.256	C	S	.	.			trans	-68.4	144.3	173.1	0	0	0	0	0	112.8	F41 G42 F48 E49	F41-G51 WeakPolarHBondContact CA-O 3.5Å; G42-G51 PolarHBondContact N-O 3.32Å; F48-G51 WeakPolarHBondContact O-CA 3.49Å; F48-G51 PolarHBondContact O-N 3.06Å; E49-G51 PolarHBondContact O-N 3.46Å
52	T	97.7	Very high	97.8	Very high	44 Å²	44	46.6 Å²	46.6	27%	0.27	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	92	177.2	-58.8	0	0	0	0	109.9	V39 F41 S148	V39-T52 HydrophobicContact CG1-CG2 3.5Å; V39-T52 VanDerWaalsContact CG1-CG2 3.5Å; F41-T52 HydrophobicContact CD1-CG2 4.45Å; F41-T52 HydrophobicContact CE1-CG2 4.06Å; T52-S148 PolarHBondContact N-OG 3.23Å; T52-S148 WeakPolarHBondContact O-CB 3.49Å
53	F	98.4	Very high	97.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	117.5	-170.2	-52.5	-68	0	0	0	111.5	V39 I40 F48 L55 F72 M76 L113 I144 V145	V39-F53 CarbonylContact C-O 3.58Å; V39-F53 WeakPolarHBondContact CA-O 3.28Å; I40-F53 PolarHBondContact N-O 3.14Å; I40-F53 WeakPolarHBondContact O-CD2 3.27Å; I40-F53 PolarHBondContact O-N 2.87Å; F48-F53 HydrophobicContact CB-CE2 4.02Å; F48-F53 HydrophobicContact CB-CZ 4.28Å; F48-F53 AromaticContact CD1-CE2 3.98Å; F48-F53 HydrophobicContact CD1-CE2 3.98Å; F48-F53 AromaticContact CD1-CZ 3.73Å; F48-F53 HydrophobicContact CD1-CZ 3.73Å; F48-F53 HydrophobicContact CG-CE2 4.45Å; F53-L55 VanDerWaalsContact O-CD1 3.28Å; F53-L55 WeakPolarHBondContact O-CD1 3.26Å; F53-F72 HydrophobicContact CB-CD1 3.91Å; F53-F72 HydrophobicContact CB-CE1 3.69Å; F53-F72 HydrophobicContact CG-CE1 4.47Å; F53-M76 HydrophobicContact CB-SD 4.34Å; F53-M76 HydrophobicContact CD1-CE 4.14Å; F53-M76 HydrophobicContact CD1-SD 3.49Å; F53-M76 WeakPolarHBondContact CD1-SD 3.18Å; F53-M76 HydrophobicContact CE1-CE 4.41Å; F53-M76 HydrophobicContact CE1-SD 4.02Å; F53-M76 HydrophobicContact CG-CE 4.25Å; F53-M76 HydrophobicContact CG-SD 3.97Å; F53-L113 HydrophobicContact CD2-CD1 4.13Å; F53-L113 HydrophobicContact CE2-CD1 4.4Å; F53-I144 HydrophobicContact CE1-CG2 3.96Å; F53-V145 HydrophobicContact CZ-CG2 4.07Å
54	K	98.1	Very high	97.8	Very high	61 Å²	61	46.6 Å²	46.6	27%	0.265	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	139.5	177.8	-66.4	175.6	175.7	176.6	0	110.3	A38 V39 L73 S74 D151 S152	A38-K54 CarbonylContact O-C 3.58Å; A38-K54 WeakPolarHBondContact O-CA 3.42Å; V39-K54 HydrophobicContact CG2-CG 4.34Å; K54-L73 HydrophobicContact CB-CB 4.1Å; K54-L73 PolarHBondContact O-N 2.81Å; K54-S74 PolarHBondContact N-OG 2.92Å; K54-S74 PolarHBondContact O-N 3.37Å; K54-D151 WeakPolarHBondContact CE-O 3.15Å; K54-D151 PolarHBondContact NZ-O 2.86Å; K54-S152 PolarHBondContact NZ-OXT 2.92Å
55	L	98.2	Very high	97.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	155.2	175.5	-54.6	93.3	0	0	0	110.6	A38 I40 F53 V70 R71 F72 I87 I109	A38-L55 HydrophobicContact CB-CB 4.39Å; A38-L55 PolarHBondContact N-O 3.32Å; A38-L55 PolarHBondContact O-N 3.29Å; I40-L55 HydrophobicContact CB-CD1 4.07Å; I40-L55 HydrophobicContact CD1-CD1 3.74Å; I40-L55 HydrophobicContact CD1-CD2 4.07Å; I40-L55 HydrophobicContact CG1-CD1 3.67Å; F53-L55 VanDerWaalsContact O-CD1 3.28Å; F53-L55 WeakPolarHBondContact O-CD1 3.26Å; L55-V70 HydrophobicContact CD2-CG1 3.94Å; L55-R71 VanDerWaalsContact CA-O 3.31Å; L55-R71 WeakPolarHBondContact CA-O 3.45Å; L55-F72 HydrophobicContact CD1-CD1 4.17Å; L55-F72 HydrophobicContact CD1-CE1 3.94Å; L55-F72 HydrophobicContact CD2-CD1 3.89Å; L55-F72 HydrophobicContact CD2-CD2 4.34Å; L55-F72 HydrophobicContact CD2-CE1 3.72Å; L55-F72 HydrophobicContact CD2-CE2 4.19Å; L55-F72 HydrophobicContact CD2-CG 4.21Å; L55-F72 HydrophobicContact CD2-CZ 3.88Å; L55-F72 HydrophobicContact CG-CD1 3.64Å; L55-F72 HydrophobicContact CG-CE1 3.77Å; L55-F72 HydrophobicContact CG-CG 4.22Å; L55-F72 HydrophobicContact CG-CZ 4.44Å; L55-I87 HydrophobicContact CD2-CD1 4.11Å; L55-I109 HydrophobicContact CD2-CD1 4.16Å; L55-I109 HydrophobicContact CD2-CG2 4.16Å
56	V	98.3	Very high	98	Very high	15 Å²	15	45.4 Å²	45.4	9%	0.091	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	139.7	164.4	65.6	0	0	0	0	109.5	W36 E58 V70 R71 L73	W36-V56 WeakPolarHBondContact O-CA 3.35Å; V56-E58 HydrophobicContact CG2-CG 4.24Å; V56-V70 WeakPolarHBondContact O-CA 3.37Å; V56-R71 HydrophobicContact CG1-CG 3.51Å; V56-R71 PolarHBondContact N-O 2.94Å; V56-R71 PolarHBondContact O-N 2.8Å; V56-R71 VanDerWaalsContact O-N 3.14Å; V56-L73 HydrophobicContact CB-CD1 4.38Å; V56-L73 HydrophobicContact CB-CD2 4.19Å; V56-L73 HydrophobicContact CB-CG 4.31Å; V56-L73 HydrophobicContact CG1-CD2 3.84Å; V56-L73 HydrophobicContact CG1-CG 4.37Å
57	I	98.6	Very high	98	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.2	174.5	-48.2	174	0	0	0	108.5	Q35 W36 A38 F59 P68 T69 V70 V102 L106	Q35-I57 CarbonylContact C-O 3.47Å; Q35-I57 WeakPolarHBondContact CA-O 3.5Å; W36-I57 HydrophobicContact CB-CB 4.18Å; W36-I57 PolarHBondContact N-O 2.9Å; W36-I57 PolarHBondContact O-N 3.29Å; A38-I57 HydrophobicContact CB-CD1 4.35Å; I57-F59 HydrophobicContact CB-CE2 3.96Å; I57-F59 HydrophobicContact CB-CZ 4.23Å; I57-F59 HydrophobicContact CG2-CD2 4.13Å; I57-F59 HydrophobicContact CG2-CE1 4.01Å; I57-F59 HydrophobicContact CG2-CE2 3.41Å; I57-F59 VanDerWaalsContact CG2-CE2 3.41Å; I57-F59 HydrophobicContact CG2-CZ 3.34Å; I57-P68 HydrophobicContact CG2-CB 3.54Å; I57-P68 HydrophobicContact CG2-CG 3.81Å; I57-T69 WeakPolarHBondContact CA-O 3.4Å; I57-V70 HydrophobicContact CG1-CG1 4.15Å; I57-V70 HydrophobicContact CG1-CG2 4.26Å; I57-V70 HydrophobicContact CG2-CG2 4.02Å; I57-V102 HydrophobicContact CD1-CG1 4.12Å; I57-L106 HydrophobicContact CD1-CD2 4.12Å
58	E	98.6	Very high	98.1	Very high	82 Å²	82	45.2 Å²	45.2	38%	0.383	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.7	-179.7	-60	-172	145.8	0	0	110.2	Q35 V56 P68 T69	Q35-E58 HydrophobicContact CG-CG 4.44Å; V56-E58 HydrophobicContact CG2-CG 4.24Å; E58-P68 CarbonylContact O-C 3.37Å; E58-P68 VanDerWaalsContact O-CA 3.27Å; E58-P68 WeakPolarHBondContact O-CA 3.31Å; E58-P68 VanDerWaalsContact O-CB 3.25Å; E58-P68 WeakPolarHBondContact O-CB 3.37Å; E58-T69 PolarHBondContact N-O 3.44Å; E58-T69 PolarHBondContact O-N 3.03Å
59	F	98.6	Very high	98.1	Very high	18 Å²	18	49.6 Å²	49.6	8%	0.079	26%	0.259	C	S	.	.			trans	-103.6	147.2	-179	-58.4	-92.2	0	0	0	110.6	L9 M34 W36 I57 Y63 P68 V102	L9-F59 HydrophobicContact CD1-CB 4.03Å; L9-F59 HydrophobicContact CD1-CD1 4.39Å; L9-F59 HydrophobicContact CD1-CD2 4.26Å; L9-F59 HydrophobicContact CD1-CG 3.97Å; L9-F59 HydrophobicContact CD2-CD1 3.54Å; L9-F59 HydrophobicContact CD2-CD2 3.98Å; L9-F59 HydrophobicContact CD2-CE1 3.46Å; L9-F59 VanDerWaalsContact CD2-CE1 3.46Å; L9-F59 HydrophobicContact CD2-CE2 3.92Å; L9-F59 HydrophobicContact CD2-CG 3.81Å; L9-F59 HydrophobicContact CD2-CZ 3.66Å; M34-F59 HydrophobicContact CB-CB 4.38Å; M34-F59 WeakPolarHBondContact O-CD2 3.5Å; M34-F59 PolarHBondContact O-N 2.87Å; W36-F59 HydrophobicContact CB-CE2 4.26Å; W36-F59 AromaticContact CD1-CD2 3.86Å; W36-F59 AromaticContact CD1-CE2 3.38Å; W36-F59 HydrophobicContact CD2-CE2 4.25Å; W36-F59 AromaticContact CG-CE2 3.74Å; W36-F59 HydrophobicContact CG-CE2 3.74Å; W36-F59 AromaticContact NE1-CE2 3.71Å; I57-F59 HydrophobicContact CB-CE2 3.96Å; I57-F59 HydrophobicContact CB-CZ 4.23Å; I57-F59 HydrophobicContact CG2-CD2 4.13Å; I57-F59 HydrophobicContact CG2-CE1 4.01Å; I57-F59 HydrophobicContact CG2-CE2 3.41Å; I57-F59 VanDerWaalsContact CG2-CE2 3.41Å; I57-F59 HydrophobicContact CG2-CZ 3.34Å; F59-Y63 HydrophobicContact CD1-CD1 4.05Å; F59-Y63 AromaticContact CD1-CD2 3.71Å; F59-Y63 HydrophobicContact CD1-CD2 3.71Å; F59-Y63 HydrophobicContact CD1-CE1 4.29Å; F59-Y63 HydrophobicContact CD1-CE2 4.03Å; F59-Y63 AromaticContact CD1-CG 3.76Å; F59-Y63 HydrophobicContact CD1-CG 3.76Å; F59-Y63 HydrophobicContact CE1-CD1 4.47Å; F59-Y63 HydrophobicContact CE1-CD2 4.11Å; F59-Y63 HydrophobicContact CE1-CE1 4.25Å; F59-Y63 AromaticContact CE1-CE2 3.94Å; F59-Y63 HydrophobicContact CE1-CE2 3.94Å; F59-Y63 HydrophobicContact CE1-CG 4.42Å; F59-P68 HydrophobicContact CD1-CB 3.57Å; F59-P68 HydrophobicContact CD1-CG 4.12Å; F59-P68 HydrophobicContact CE1-CB 3.66Å; F59-P68 HydrophobicContact CE1-CG 3.76Å; F59-P68 HydrophobicContact CG-CB 4.12Å; F59-P68 HydrophobicContact CZ-CB 4.27Å; F59-P68 HydrophobicContact CZ-CG 4.41Å; F59-V102 HydrophobicContact CE1-CG2 4.3Å; F59-V102 HydrophobicContact CZ-CG2 3.79Å
60	S	98.1	Very high	98.1	Very high	48 Å²	48	46.1 Å²	46.1	34%	0.336	24%	0.243	S	C	.	.			trans	-104.2	168.9	167.1	72	0	0	0	0	110.7	M34 E62 Y63	M34-S60 VanDerWaalsContact CE-C 3.46Å; M34-S60 WeakPolarHBondContact CE-O 3.5Å; S60-E62 PolarHBondContact O-N 3.37Å; S60-E62 VanDerWaalsContact O-N 3.08Å; S60-E62 PolarHBondContact OG-N 3.24Å; S60-Y63 WeakPolarHBondContact O-CB 3.24Å; S60-Y63 PolarHBondContact O-N 3.19Å; S60-Y63 VanDerWaalsContact O-N 3.09Å
61	E	97.7	Very high	98.2	Very high	91 Å²	91	45.1 Å²	45.1	43%	0.425	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-5.2	174.3	-64.8	-69.7	175.8	0	0	112.9	T3 R6 M34 Y63	T3-E61 WeakPolarHBondContact CB-OE2 3.37Å; T3-E61 VanDerWaalsContact CG2-OE2 3.3Å; T3-E61 WeakPolarHBondContact CG2-OE2 3.34Å; T3-E61 PolarHBondContact OG1-OE2 3.12Å; R6-E61 IonicContact CZ-OE1 3.52Å; R6-E61 IonicContact NE-OE1 3.11Å; R6-E61 PolarHBondContact NE-OE1 3.38Å; R6-E61 VanDerWaalsContact NE-OE1 3.11Å; R6-E61 IonicContact NH2-OE1 3.06Å; R6-E61 PolarHBondContact NH2-OE1 3.29Å; M34-E61 HydrophobicContact CE-CB 4.47Å; M34-E61 VanDerWaalsContact CE-CD 3.4Å; M34-E61 HydrophobicContact CE-CG 3.91Å; E61-Y63 VanDerWaalsContact C-N 3.34Å
62	E	98.1	Very high	98.2	Very high	97 Å²	97	45.3 Å²	45.3	45%	0.453	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-5.8	172.9	-58.2	-170.9	-118.7	0	0	113.1	S60 N65 K66	S60-E62 PolarHBondContact O-N 3.37Å; S60-E62 VanDerWaalsContact O-N 3.08Å; S60-E62 PolarHBondContact OG-N 3.24Å; E62-N65 WeakPolarHBondContact O-CA 3.49Å; E62-N65 WeakPolarHBondContact O-CB 3.24Å; E62-N65 PolarHBondContact O-N 3.36Å; E62-K66 HydrophobicContact CB-CB 4.04Å; E62-K66 HydrophobicContact CB-CD 4.13Å; E62-K66 HydrophobicContact CB-CG 4.07Å; E62-K66 HydrophobicContact CG-CD 4.45Å; E62-K66 PolarHBondContact O-N 3.08Å; E62-K66 VanDerWaalsContact O-N 3.12Å; E62-K66 IonicContact OE1-NZ 2.78Å; E62-K66 PolarHBondContact OE1-NZ 3.47Å; E62-K66 WeakPolarHBondContact OE2-CD 3.21Å; E62-K66 WeakPolarHBondContact OE2-CE 3.38Å; E62-K66 IonicContact OE2-NZ 2.76Å; E62-K66 PolarHBondContact OE2-NZ 2.88Å
63	Y	98.4	Very high	98.2	Very high	5 Å²	5	47 Å²	47	2%	0.02	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	134	174.8	-173	-106	0	0	0	111.2	A5 R8 L9 D12 F59 S60 E61 W96 Y100	A5-Y63 WeakPolarHBondContact CA-O 3.49Å; A5-Y63 VanDerWaalsContact CB-O 3.27Å; A5-Y63 WeakPolarHBondContact CB-O 3.44Å; R8-Y63 HydrophobicContact CB-CD1 4.46Å; R8-Y63 HydrophobicContact CB-CE1 4.45Å; R8-Y63 HydrophobicContact CG-CD1 3.83Å; R8-Y63 HydrophobicContact CG-CE1 3.44Å; R8-Y63 VanDerWaalsContact CG-CE1 3.44Å; L9-Y63 HydrophobicContact CD2-CD1 3.76Å; L9-Y63 HydrophobicContact CD2-CE1 3.6Å; L9-Y63 HydrophobicContact CG-CD1 3.9Å; L9-Y63 HydrophobicContact CG-CE1 4.1Å; D12-Y63 PolarHBondContact OD2-OH 3.5Å; F59-Y63 HydrophobicContact CD1-CD1 4.05Å; F59-Y63 AromaticContact CD1-CD2 3.71Å; F59-Y63 HydrophobicContact CD1-CD2 3.71Å; F59-Y63 HydrophobicContact CD1-CE1 4.29Å; F59-Y63 HydrophobicContact CD1-CE2 4.03Å; F59-Y63 AromaticContact CD1-CG 3.76Å; F59-Y63 HydrophobicContact CD1-CG 3.76Å; F59-Y63 HydrophobicContact CE1-CD1 4.47Å; F59-Y63 HydrophobicContact CE1-CD2 4.11Å; F59-Y63 HydrophobicContact CE1-CE1 4.25Å; F59-Y63 AromaticContact CE1-CE2 3.94Å; F59-Y63 HydrophobicContact CE1-CE2 3.94Å; F59-Y63 HydrophobicContact CE1-CG 4.42Å; S60-Y63 WeakPolarHBondContact O-CB 3.24Å; S60-Y63 PolarHBondContact O-N 3.19Å; S60-Y63 VanDerWaalsContact O-N 3.09Å; E61-Y63 VanDerWaalsContact C-N 3.34Å; Y63-W96 HydrophobicContact CD2-CZ2 4.2Å; Y63-W96 AromaticContact CE2-CH2 3.67Å; Y63-W96 HydrophobicContact CE2-CH2 3.67Å; Y63-W96 AromaticContact CE2-CZ2 3.66Å; Y63-W96 HydrophobicContact CE2-CZ2 3.66Å; Y63-Y100 PolarHBondContact OH-O 3.04Å
64	P	98	Very high	98.2	Very high	25 Å²	25	47.2 Å²	47.2	16%	0.162	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96.2	10.5	7.7	39.9	-38.2	0	0	0	114.8	R8 K66 W96 P98	R8-P64 HydrophobicContact CG-CB 4.42Å; R8-P64 HydrophobicContact CG-CG 4.31Å; P64-K66 VanDerWaalsContact C-N 3.3Å; P64-K66 PolarHBondContact O-N 3Å; P64-W96 HydrophobicContact CB-CZ2 4.41Å; P64-W96 WeakPolarHBondContact O-CZ2 3.42Å; P64-W96 PolarHBondContact O-NE1 3.49Å; P64-P98 HydrophobicContact CB-CB 4.21Å; P64-P98 HydrophobicContact CG-CB 4.13Å; P64-P98 VanDerWaalsContact O-CA 3.28Å; P64-P98 WeakPolarHBondContact O-CA 3.38Å; P64-P98 WeakPolarHBondContact O-CB 3.5Å
65	N	98	Very high	98.1	Very high	121 Å²	121	50.8 Å²	50.8	65%	0.647	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-31.3	-179.7	-63.6	-28.4	0	0	0	112	E62	E62-N65 WeakPolarHBondContact O-CA 3.49Å; E62-N65 WeakPolarHBondContact O-CB 3.24Å; E62-N65 PolarHBondContact O-N 3.36Å
66	K	98	Very high	98.1	Very high	99 Å²	99	51.9 Å²	51.9	43%	0.43	26%	0.26	S	S	.	.	S	Bend	trans	-109.1	147.4	166.6	-71.3	-169.2	-180	157.7	0	111.4	E62 P64	E62-K66 HydrophobicContact CB-CB 4.04Å; E62-K66 HydrophobicContact CB-CD 4.13Å; E62-K66 HydrophobicContact CB-CG 4.07Å; E62-K66 HydrophobicContact CG-CD 4.45Å; E62-K66 PolarHBondContact O-N 3.08Å; E62-K66 VanDerWaalsContact O-N 3.12Å; E62-K66 IonicContact OE1-NZ 2.78Å; E62-K66 PolarHBondContact OE1-NZ 3.47Å; E62-K66 WeakPolarHBondContact OE2-CD 3.21Å; E62-K66 WeakPolarHBondContact OE2-CE 3.38Å; E62-K66 IonicContact OE2-NZ 2.76Å; E62-K66 PolarHBondContact OE2-NZ 2.88Å; P64-K66 VanDerWaalsContact C-N 3.3Å; P64-K66 PolarHBondContact O-N 3Å
67	P	98.3	Very high	98.1	Very high	39 Å²	39	52.1 Å²	52.1	25%	0.253	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-65.1	154.9	174.1	27.7	-33	0	0	0	110.7	L92 W96	P67-L92 WeakPolarHBondContact CG-O 3.43Å; P67-W96 HydrophobicContact CB-CB 4.21Å; P67-W96 HydrophobicContact CB-CD2 3.51Å; P67-W96 HydrophobicContact CB-CE3 3.6Å; P67-W96 HydrophobicContact CB-CG 3.77Å; P67-W96 HydrophobicContact CB-CZ3 4.23Å; P67-W96 HydrophobicContact CG-CB 4.17Å; P67-W96 HydrophobicContact CG-CD2 4.28Å; P67-W96 HydrophobicContact CG-CG 4.01Å
68	P	98.5	Very high	98.1	Very high	6 Å²	6	52.1 Å²	52.1	4%	0.039	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-71.4	162.8	163.5	32.3	-33.5	0	0	0	111.3	I57 E58 F59 V70 I105	I57-P68 HydrophobicContact CG2-CB 3.54Å; I57-P68 HydrophobicContact CG2-CG 3.81Å; E58-P68 CarbonylContact O-C 3.37Å; E58-P68 VanDerWaalsContact O-CA 3.27Å; E58-P68 WeakPolarHBondContact O-CA 3.31Å; E58-P68 VanDerWaalsContact O-CB 3.25Å; E58-P68 WeakPolarHBondContact O-CB 3.37Å; F59-P68 HydrophobicContact CD1-CB 3.57Å; F59-P68 HydrophobicContact CD1-CG 4.12Å; F59-P68 HydrophobicContact CE1-CB 3.66Å; F59-P68 HydrophobicContact CE1-CG 3.76Å; F59-P68 HydrophobicContact CG-CB 4.12Å; F59-P68 HydrophobicContact CZ-CB 4.27Å; F59-P68 HydrophobicContact CZ-CG 4.41Å; P68-V70 HydrophobicContact CG-CG2 4.3Å; P68-I105 HydrophobicContact CG-CD1 3.72Å
69	T	98.3	Very high	98.1	Very high	93 Å²	93	48.2 Å²	48.2	57%	0.571	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85	131.2	164.3	-57.1	0	0	0	0	108.9	I57 E58	I57-T69 WeakPolarHBondContact CA-O 3.4Å; E58-T69 PolarHBondContact N-O 3.44Å; E58-T69 PolarHBondContact O-N 3.03Å
70	V	98.5	Very high	98.1	Very high	8 Å²	8	47.5 Å²	47.5	5%	0.048	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.2	178.6	-170.6	0	0	0	0	109.2	L55 V56 I57 P68 I87 L92 I105 I109	L55-V70 HydrophobicContact CD2-CG1 3.94Å; V56-V70 WeakPolarHBondContact O-CA 3.37Å; I57-V70 HydrophobicContact CG1-CG1 4.15Å; I57-V70 HydrophobicContact CG1-CG2 4.26Å; I57-V70 HydrophobicContact CG2-CG2 4.02Å; P68-V70 HydrophobicContact CG-CG2 4.3Å; V70-I87 HydrophobicContact CB-CD1 4.43Å; V70-I87 HydrophobicContact CG1-CD1 3.96Å; V70-L92 HydrophobicContact CB-CD1 4.01Å; V70-L92 HydrophobicContact CG2-CD1 3.98Å; V70-L92 HydrophobicContact CG2-CD2 3.99Å; V70-I105 HydrophobicContact CG2-CG2 4.11Å; V70-I109 HydrophobicContact CB-CD1 4.4Å; V70-I109 HydrophobicContact CG1-CD1 3.67Å
71	R	98.4	Very high	98.1	Very high	95 Å²	95	45.3 Å²	45.3	36%	0.358	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	150	171.2	65.8	-177.7	-176.8	84.4	5.5	111.7	L55 V56 L73 G85	L55-R71 VanDerWaalsContact CA-O 3.31Å; L55-R71 WeakPolarHBondContact CA-O 3.45Å; V56-R71 HydrophobicContact CG1-CG 3.51Å; V56-R71 PolarHBondContact N-O 2.94Å; V56-R71 PolarHBondContact O-N 2.8Å; V56-R71 VanDerWaalsContact O-N 3.14Å; R71-L73 VanDerWaalsContact NH1-CD2 3.33Å; R71-G85 CarbonylContact C-O 3.51Å; R71-G85 WeakPolarHBondContact CA-O 2.75Å; R71-G85 WeakPolarHBondContact CB-O 3.19Å
72	F	98.5	Very high	98.1	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	138.4	167.1	-72.8	-84.4	0	0	0	110.5	F53 L55 M76 V81 G85 I87 I109 L113	F53-F72 HydrophobicContact CB-CD1 3.91Å; F53-F72 HydrophobicContact CB-CE1 3.69Å; F53-F72 HydrophobicContact CG-CE1 4.47Å; L55-F72 HydrophobicContact CD1-CD1 4.17Å; L55-F72 HydrophobicContact CD1-CE1 3.94Å; L55-F72 HydrophobicContact CD2-CD1 3.89Å; L55-F72 HydrophobicContact CD2-CD2 4.34Å; L55-F72 HydrophobicContact CD2-CE1 3.72Å; L55-F72 HydrophobicContact CD2-CE2 4.19Å; L55-F72 HydrophobicContact CD2-CG 4.21Å; L55-F72 HydrophobicContact CD2-CZ 3.88Å; L55-F72 HydrophobicContact CG-CD1 3.64Å; L55-F72 HydrophobicContact CG-CE1 3.77Å; L55-F72 HydrophobicContact CG-CG 4.22Å; L55-F72 HydrophobicContact CG-CZ 4.44Å; F72-M76 HydrophobicContact CB-CG 3.65Å; F72-M76 HydrophobicContact CD1-CE 4.31Å; F72-M76 HydrophobicContact CD1-CG 3.88Å; F72-M76 HydrophobicContact CD1-SD 3.81Å; F72-M76 HydrophobicContact CD2-CG 3.8Å; F72-M76 HydrophobicContact CE1-CE 4.01Å; F72-M76 HydrophobicContact CE1-CG 4.47Å; F72-M76 HydrophobicContact CE1-SD 4.08Å; F72-M76 HydrophobicContact CE2-CE 4.37Å; F72-M76 HydrophobicContact CE2-CG 4.4Å; F72-M76 HydrophobicContact CG-CG 3.5Å; F72-M76 VanDerWaalsContact CG-CG 3.5Å; F72-M76 HydrophobicContact CG-SD 4.09Å; F72-M76 HydrophobicContact CZ-CE 4.03Å; F72-V81 HydrophobicContact CD2-CG1 3.91Å; F72-V81 HydrophobicContact CD2-CG2 4.01Å; F72-V81 HydrophobicContact CE2-CG2 3.79Å; F72-G85 PolarHBondContact N-O 2.94Å; F72-I87 HydrophobicContact CD2-CD1 3.84Å; F72-I87 HydrophobicContact CD2-CG1 3.89Å; F72-I87 HydrophobicContact CE2-CD1 3.57Å; F72-I87 HydrophobicContact CE2-CG1 3.89Å; F72-I87 HydrophobicContact CZ-CD1 4.44Å; F72-I109 HydrophobicContact CE2-CG2 4.03Å; F72-I109 HydrophobicContact CZ-CG2 3.66Å; F72-L113 HydrophobicContact CZ-CD2 4.45Å
73	L	97.8	Very high	98	Very high	80 Å²	80	46.6 Å²	46.6	42%	0.419	25%	0.246	S	C	.	.	S	Bend	trans	-90.5	-38.8	165.1	-62.4	-177.6	0	0	0	110.3	K54 V56 R71	K54-L73 HydrophobicContact CB-CB 4.1Å; K54-L73 PolarHBondContact O-N 2.81Å; V56-L73 HydrophobicContact CB-CD1 4.38Å; V56-L73 HydrophobicContact CB-CD2 4.19Å; V56-L73 HydrophobicContact CB-CG 4.31Å; V56-L73 HydrophobicContact CG1-CD2 3.84Å; V56-L73 HydrophobicContact CG1-CG 4.37Å; R71-L73 VanDerWaalsContact NH1-CD2 3.33Å
74	S	97.3	Very high	97.9	Very high	4 Å²	4	51.3 Å²	51.3	3%	0.028	27%	0.271	C	S	.	.	S	Bend	trans	-61.2	145.2	169.5	-61.4	0	0	0	0	109.9	K54	K54-S74 PolarHBondContact N-OG 2.92Å; K54-S74 PolarHBondContact O-N 3.37Å
75	K	96.8	Very high	97.9	Very high	136 Å²	136	50.4 Å²	50.4	59%	0.591	27%	0.266	S	S	*	.			trans	-63.6	142.1	170.2	-67.3	-167.6	-165.7	152.7	0	109.2	I144	K75-I144 HydrophobicContact CB-CD1 4.15Å; K75-I144 WeakPolarHBondContact O-CG2 3.37Å
76	M	98.1	Very high	97.9	Very high	24 Å²	24	46.2 Å²	46.2	12%	0.118	25%	0.247	C	C	.	.			trans	-128.4	143.8	-179	-64.5	-56.8	-71	0	0	111.3	F48 F53 F72 V81 L113	F48-M76 HydrophobicContact CD1-CE 4.34Å; F48-M76 HydrophobicContact CE1-CE 3.92Å; F53-M76 HydrophobicContact CB-SD 4.34Å; F53-M76 HydrophobicContact CD1-CE 4.14Å; F53-M76 HydrophobicContact CD1-SD 3.49Å; F53-M76 WeakPolarHBondContact CD1-SD 3.18Å; F53-M76 HydrophobicContact CE1-CE 4.41Å; F53-M76 HydrophobicContact CE1-SD 4.02Å; F53-M76 HydrophobicContact CG-CE 4.25Å; F53-M76 HydrophobicContact CG-SD 3.97Å; F72-M76 HydrophobicContact CB-CG 3.65Å; F72-M76 HydrophobicContact CD1-CE 4.31Å; F72-M76 HydrophobicContact CD1-CG 3.88Å; F72-M76 HydrophobicContact CD1-SD 3.81Å; F72-M76 HydrophobicContact CD2-CG 3.8Å; F72-M76 HydrophobicContact CE1-CE 4.01Å; F72-M76 HydrophobicContact CE1-CG 4.47Å; F72-M76 HydrophobicContact CE1-SD 4.08Å; F72-M76 HydrophobicContact CE2-CE 4.37Å; F72-M76 HydrophobicContact CE2-CG 4.4Å; F72-M76 HydrophobicContact CG-CG 3.5Å; F72-M76 VanDerWaalsContact CG-CG 3.5Å; F72-M76 HydrophobicContact CG-SD 4.09Å; F72-M76 HydrophobicContact CZ-CE 4.03Å; M76-V81 HydrophobicContact CB-CB 4.16Å; M76-V81 HydrophobicContact CB-CG1 3.72Å; M76-V81 HydrophobicContact CG-CG1 4.08Å; M76-L113 HydrophobicContact CE-CD2 3.78Å
77	F	98.3	Very high	97.9	Very high	19 Å²	19	42.1 Å²	42.1	8%	0.083	23%	0.23	C	C	.	.			trans	-123.6	85.2	166.4	-168.4	-103.1	0	0	0	108.7	Q125 A126 L129 Y137 R140 V141 I144	F77-Q125 HydrophobicContact CE2-CG 4.47Å; F77-Q125 HydrophobicContact CZ-CG 4.29Å; F77-A126 HydrophobicContact CD1-CB 4.15Å; F77-A126 HydrophobicContact CD2-CB 4.39Å; F77-A126 HydrophobicContact CE1-CB 3.82Å; F77-A126 HydrophobicContact CE2-CB 4.07Å; F77-A126 HydrophobicContact CG-CB 4.41Å; F77-A126 HydrophobicContact CZ-CB 3.76Å; F77-L129 HydrophobicContact CE1-CD1 4.12Å; F77-L129 HydrophobicContact CZ-CD1 3.89Å; F77-Y137 HydrophobicContact CD1-CD2 4.23Å; F77-Y137 HydrophobicContact CD1-CE2 4.28Å; F77-Y137 AromaticContact CE1-CD2 3.93Å; F77-Y137 HydrophobicContact CE1-CD2 3.93Å; F77-Y137 HydrophobicContact CE1-CE2 4.34Å; F77-R140 HydrophobicContact CD1-CB 3.65Å; F77-R140 HydrophobicContact CE1-CB 3.81Å; F77-R140 HydrophobicContact CE1-CG 4.37Å; F77-R140 HydrophobicContact CG-CB 4.23Å; F77-V141 HydrophobicContact CD1-CG2 4.29Å; F77-I144 HydrophobicContact CB-CD1 4.49Å; F77-I144 HydrophobicContact CB-CG1 3.77Å
78	H	98.4	Very high	97.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.			trans	-141.8	139.7	-173	-176.3	-91.1	0	0	0	110.6	F48 N80 V81 L112 P116 N123	F48-H78 AromaticContact CE2-CD2 3.7Å; F48-H78 HydrophobicContact CZ-CB 4.09Å; F48-H78 AromaticContact CZ-CD2 3.59Å; H78-N80 PolarHBondContact CE1-OD1 2.96Å; H78-N80 PolarHBondContact ND1-N 2.78Å; H78-N80 PolarHBondContact O-N 3.03Å; H78-N80 VanDerWaalsContact O-N 3.11Å; H78-V81 HydrophobicContact CB-CB 4.08Å; H78-V81 HydrophobicContact CB-CG2 3.83Å; H78-V81 PolarHBondContact O-N 3.37Å; H78-V81 VanDerWaalsContact O-N 3.16Å; H78-L112 PolarHBondContact CE1-O 2.87Å; H78-L112 PolarHBondContact NE2-O 2.78Å; H78-P116 WeakPolarHBondContact NE2-CG 3.44Å; H78-N123 WeakPolarHBondContact O-CB 3.36Å
79	P	98.3	Very high	97.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-35.5	-178.6	-31	38.2	0	0	0	114.8	P116 P121 A122 N123 A126 A127 Y130 Y137	P79-P116 HydrophobicContact CB-CB 4.33Å; P79-P116 HydrophobicContact CG-CB 3.83Å; P79-P121 CarbonylContact O-C 3.56Å; P79-P121 WeakPolarHBondContact O-CA 3.25Å; P79-A122 PolarHBondContact O-N 3.37Å; P79-N123 PolarHBondContact O-N 2.86Å; P79-A126 HydrophobicContact CG-CB 4.32Å; P79-A127 HydrophobicContact CB-CB 4.04Å; P79-Y130 HydrophobicContact CG-CG 4.48Å; P79-Y137 HydrophobicContact CG-CE2 4.49Å
80	N	98.3	Very high	97.3	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	14.2	-176	-52.7	102.2	0	0	0	114.7	H78 C88 L112 N117	H78-N80 PolarHBondContact CE1-OD1 2.96Å; H78-N80 PolarHBondContact ND1-N 2.78Å; H78-N80 PolarHBondContact O-N 3.03Å; H78-N80 VanDerWaalsContact O-N 3.11Å; N80-C88 PolarHBondContact O-N 3.11Å; N80-L112 HydrophobicContact CB-CD1 4.07Å; N80-L112 HydrophobicContact CB-CD2 3.88Å; N80-L112 HydrophobicContact CB-CG 4.23Å; N80-N117 PolarHBondContact ND2-O 3.16Å; N80-N117 PolarHBondContact OD1-N 3.03Å; N80-N117 PolarHBondContact OD1-O 3.5Å
81	V	98.4	Very high	97.2	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-117.5	128.2	175.4	-177.2	0	0	0	0	109.9	F72 M76 H78 N123	F72-V81 HydrophobicContact CD2-CG1 3.91Å; F72-V81 HydrophobicContact CD2-CG2 4.01Å; F72-V81 HydrophobicContact CE2-CG2 3.79Å; M76-V81 HydrophobicContact CB-CB 4.16Å; M76-V81 HydrophobicContact CB-CG1 3.72Å; M76-V81 HydrophobicContact CG-CG1 4.08Å; H78-V81 HydrophobicContact CB-CB 4.08Å; H78-V81 HydrophobicContact CB-CG2 3.83Å; H78-V81 PolarHBondContact O-N 3.37Å; H78-V81 VanDerWaalsContact O-N 3.16Å; V81-N123 WeakPolarHBondContact O-CB 3.25Å
82	Y	97.8	Very high	97	Very high	99 Å²	99	37.6 Å²	37.6	39%	0.388	21%	0.208	S	C	.	.			trans	-75.1	165.8	176.8	-67.2	-82.2	0	0	0	111.6	D84 G85 S86 C88 A122	Y82-D84 VanDerWaalsContact CB-OD1 3.29Å; Y82-D84 WeakPolarHBondContact CB-OD1 3.37Å; Y82-D84 PolarHBondContact O-N 3.47Å; Y82-G85 PolarHBondContact O-N 2.83Å; Y82-S86 WeakPolarHBondContact CB-OG 3.3Å; Y82-S86 WeakPolarHBondContact CD2-O 3.41Å; Y82-S86 WeakPolarHBondContact CD2-OG 3.3Å; Y82-S86 PolarHBondContact N-O 3.04Å; Y82-C88 HydrophobicContact CE2-CB 3.93Å; Y82-A122 HydrophobicContact CD1-CB 3.7Å; Y82-A122 HydrophobicContact CD2-CB 3.68Å; Y82-A122 HydrophobicContact CE1-CB 3.64Å; Y82-A122 HydrophobicContact CE2-CB 3.63Å; Y82-A122 HydrophobicContact CG-CB 3.72Å
83	A	95.4	Very high	96.8	Very high	115 Å²	115	42.3 Å²	42.3	95%	0.95	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.7	-179	0	0	0	0	0	114	G85	A83-G85 VanDerWaalsContact C-N 3.28Å
84	D	96.5	Very high	96.5	Very high	104 Å²	104	44.8 Å²	44.8	56%	0.556	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	2.6	175.5	70.6	-15.7	0	0	0	113.4	Y82 S86	Y82-D84 VanDerWaalsContact CB-OD1 3.29Å; Y82-D84 WeakPolarHBondContact CB-OD1 3.37Å; Y82-D84 PolarHBondContact O-N 3.47Å; D84-S86 VanDerWaalsContact C-N 3.32Å; D84-S86 VanDerWaalsContact OD1-CB 3.3Å; D84-S86 WeakPolarHBondContact OD1-CB 3.41Å; D84-S86 PolarHBondContact OD1-N 3.05Å; D84-S86 PolarHBondContact OD1-OG 3.23Å
85	G	97.8	Very high	96.5	Very high	6 Å²	6	52.3 Å²	52.3	6%	0.062	27%	0.272	C	S	.	.	S	Bend	trans	85.4	-4.6	-178.3	0	0	0	0	0	114.4	R71 F72 Y82 A83	R71-G85 CarbonylContact C-O 3.51Å; R71-G85 WeakPolarHBondContact CA-O 2.75Å; R71-G85 WeakPolarHBondContact CB-O 3.19Å; F72-G85 PolarHBondContact N-O 2.94Å; Y82-G85 PolarHBondContact O-N 2.83Å; A83-G85 VanDerWaalsContact C-N 3.28Å
86	S	97.8	Very high	96.6	Very high	34 Å²	34	47.4 Å²	47.4	24%	0.238	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-63.1	149.3	175.2	63.3	0	0	0	0	111	Y82 D84	Y82-S86 WeakPolarHBondContact CB-OG 3.3Å; Y82-S86 WeakPolarHBondContact CD2-O 3.41Å; Y82-S86 WeakPolarHBondContact CD2-OG 3.3Å; Y82-S86 PolarHBondContact N-O 3.04Å; D84-S86 VanDerWaalsContact C-N 3.32Å; D84-S86 VanDerWaalsContact OD1-CB 3.3Å; D84-S86 WeakPolarHBondContact OD1-CB 3.41Å; D84-S86 PolarHBondContact OD1-N 3.05Å; D84-S86 PolarHBondContact OD1-OG 3.23Å
87	I	97.6	Very high	96.5	Very high	13 Å²	13	48 Å²	48	7%	0.067	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-112.3	127.1	-168.8	-51.5	174.3	0	0	0	109.8	L55 V70 F72 L89 I109 L112	L55-I87 HydrophobicContact CD2-CD1 4.11Å; V70-I87 HydrophobicContact CB-CD1 4.43Å; V70-I87 HydrophobicContact CG1-CD1 3.96Å; F72-I87 HydrophobicContact CD2-CD1 3.84Å; F72-I87 HydrophobicContact CD2-CG1 3.89Å; F72-I87 HydrophobicContact CE2-CD1 3.57Å; F72-I87 HydrophobicContact CE2-CG1 3.89Å; F72-I87 HydrophobicContact CZ-CD1 4.44Å; I87-L89 HydrophobicContact CG2-CB 3.89Å; I87-L89 PolarHBondContact O-N 3.46Å; I87-I109 HydrophobicContact CD1-CD1 3.77Å; I87-I109 HydrophobicContact CD1-CG1 4.04Å; I87-I109 HydrophobicContact CD1-CG2 3.93Å; I87-L112 HydrophobicContact CG2-CD2 3.74Å
88	C	95.5	Very high	96.5	Very high	31 Å²	31	49.8 Å²	49.8	21%	0.209	27%	0.269	C	S	.	.			trans	-86.4	88.3	168.9	-170.2	0	0	0	0	109.4	N80 Y82 A122	N80-C88 PolarHBondContact O-N 3.11Å; Y82-C88 HydrophobicContact CE2-CB 3.93Å; C88-A122 HydrophobicContact CB-CB 3.99Å
89	L	94.9	Very high	96.5	Very high	20 Å²	20	55 Å²	55	11%	0.105	30%	0.301	C	S	.	.			trans	-133.9	126.8	178.2	-179.6	62.8	0	0	0	109.4	I87 I91 L92 I109 L112	I87-L89 HydrophobicContact CG2-CB 3.89Å; I87-L89 PolarHBondContact O-N 3.46Å; L89-I91 VanDerWaalsContact C-N 3.33Å; L89-I91 HydrophobicContact CD1-CG1 4.41Å; L89-I91 HydrophobicContact CD2-CD1 4.08Å; L89-I91 HydrophobicContact CD2-CG1 3.62Å; L89-I91 HydrophobicContact CG-CG1 3.68Å; L89-I91 PolarHBondContact O-N 2.99Å; L89-L92 HydrophobicContact CB-CD1 4.29Å; L89-L92 HydrophobicContact CB-CG 4.46Å; L89-L92 HydrophobicContact CD2-CD1 4.28Å; L89-L92 HydrophobicContact CD2-CG 4.31Å; L89-L92 WeakPolarHBondContact O-CB 3.36Å; L89-L92 PolarHBondContact O-N 3.19Å; L89-I109 HydrophobicContact CD2-CG1 3.93Å; L89-L112 HydrophobicContact CB-CD2 4.39Å; L89-L112 HydrophobicContact CD1-CD2 4.34Å
90	D	93.3	Very high	96.5	Very high	61 Å²	61	58.3 Å²	58.3	33%	0.326	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-64.4	-34.4	-170.6	64.3	-12.5	0	0	0	113.4	L92 Q93 N94 R95	D90-L92 PolarHBondContact O-N 2.93Å; D90-Q93 CarbonylContact O-C 3.47Å; D90-Q93 WeakPolarHBondContact O-CA 3.41Å; D90-Q93 PolarHBondContact O-N 3.2Å; D90-N94 PolarHBondContact O-N 2.96Å; D90-R95 HydrophobicContact CB-CB 4.32Å; D90-R95 HydrophobicContact CB-CG 4.11Å; D90-R95 PolarHBondContact O-N 3.22Å; D90-R95 WeakPolarHBondContact OD2-CD 3.21Å; D90-R95 IonicContact OD2-CZ 2.64Å; D90-R95 IonicContact OD2-NE 3.8Å; D90-R95 PolarHBondContact OD2-NE 2.86Å; D90-R95 IonicContact OD2-NH1 3.47Å
91	I	95.5	Very high	96.4	Very high	14 Å²	14	58.4 Å²	58.4	7%	0.072	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-64.3	-24.3	175.1	67.9	150.6	0	0	0	112.3	L89 Q93 W96 Y100 S108	L89-I91 VanDerWaalsContact C-N 3.33Å; L89-I91 HydrophobicContact CD1-CG1 4.41Å; L89-I91 HydrophobicContact CD2-CD1 4.08Å; L89-I91 HydrophobicContact CD2-CG1 3.62Å; L89-I91 HydrophobicContact CG-CG1 3.68Å; L89-I91 PolarHBondContact O-N 2.99Å; I91-Q93 VanDerWaalsContact C-N 3.26Å; I91-W96 WeakPolarHBondContact O-CA 3.44Å; I91-W96 VanDerWaalsContact O-CB 3.32Å; I91-W96 WeakPolarHBondContact O-CB 3.42Å; I91-W96 VanDerWaalsContact O-CE3 3.29Å; I91-W96 PolarHBondContact O-N 3.45Å; I91-Y100 HydrophobicContact CB-CD2 4.48Å; I91-Y100 HydrophobicContact CB-CE2 3.97Å; I91-Y100 HydrophobicContact CG2-CE2 4.08Å; I91-S108 VanDerWaalsContact CD1-CB 3.46Å; I91-S108 WeakPolarHBondContact CD1-OG 3.36Å
92	L	95.4	Very high	96.4	Very high	20 Å²	20	58.3 Å²	58.3	11%	0.105	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-86.9	2.3	173.7	-64.1	177	0	0	0	112.6	P67 V70 L89 D90 I105	P67-L92 WeakPolarHBondContact CG-O 3.43Å; V70-L92 HydrophobicContact CB-CD1 4.01Å; V70-L92 HydrophobicContact CG2-CD1 3.98Å; V70-L92 HydrophobicContact CG2-CD2 3.99Å; L89-L92 HydrophobicContact CB-CD1 4.29Å; L89-L92 HydrophobicContact CB-CG 4.46Å; L89-L92 HydrophobicContact CD2-CD1 4.28Å; L89-L92 HydrophobicContact CD2-CG 4.31Å; L89-L92 WeakPolarHBondContact O-CB 3.36Å; L89-L92 PolarHBondContact O-N 3.19Å; D90-L92 PolarHBondContact O-N 2.93Å; L92-I105 HydrophobicContact CD2-CG1 4.43Å; L92-I105 HydrophobicContact CD2-CG2 4.08Å
93	Q	92.8	Very high	96.4	Very high	102 Å²	102	54 Å²	54	48%	0.477	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.9	-113.6	-174.7	-59.7	178.3	23.8	0	0	110.2	D90 I91 R95 W96	D90-Q93 CarbonylContact O-C 3.47Å; D90-Q93 WeakPolarHBondContact O-CA 3.41Å; D90-Q93 PolarHBondContact O-N 3.2Å; I91-Q93 VanDerWaalsContact C-N 3.26Å; Q93-R95 VanDerWaalsContact C-N 3.35Å; Q93-R95 PolarHBondContact O-N 3.26Å; Q93-W96 PolarHBondContact O-N 3.23Å
94	N	93.3	Very high	96.5	Very high	132 Å²	132	50 Å²	50	71%	0.706	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-13.2	-172.4	61.8	-50.7	0	0	0	114.2	D90	D90-N94 PolarHBondContact O-N 2.96Å
95	R	96.2	Very high	96.6	Very high	163 Å²	163	45.1 Å²	45.1	62%	0.615	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105	13.6	175	-60.9	-156.7	-172.6	-176.2	-3.4	113.6	D90 Q93 S97 Y100	D90-R95 HydrophobicContact CB-CB 4.32Å; D90-R95 HydrophobicContact CB-CG 4.11Å; D90-R95 PolarHBondContact O-N 3.22Å; D90-R95 WeakPolarHBondContact OD2-CD 3.21Å; D90-R95 IonicContact OD2-CZ 2.64Å; D90-R95 IonicContact OD2-NE 3.8Å; D90-R95 PolarHBondContact OD2-NE 2.86Å; D90-R95 IonicContact OD2-NH1 3.47Å; Q93-R95 VanDerWaalsContact C-N 3.35Å; Q93-R95 PolarHBondContact O-N 3.26Å; R95-S97 PolarHBondContact O-N 3.47Å; R95-Y100 WeakPolarHBondContact O-CE2 3.22Å
96	W	98	Very high	96.6	Very high	33 Å²	33	44.8 Å²	44.8	13%	0.125	23%	0.234	C	C	.	.			trans	-57.8	136.2	174.3	175.7	-104.9	0	0	0	111.5	Y63 P64 P67 I91 Q93 Y100 I105	Y63-W96 HydrophobicContact CD2-CZ2 4.2Å; Y63-W96 AromaticContact CE2-CH2 3.67Å; Y63-W96 HydrophobicContact CE2-CH2 3.67Å; Y63-W96 AromaticContact CE2-CZ2 3.66Å; Y63-W96 HydrophobicContact CE2-CZ2 3.66Å; P64-W96 HydrophobicContact CB-CZ2 4.41Å; P64-W96 WeakPolarHBondContact O-CZ2 3.42Å; P64-W96 PolarHBondContact O-NE1 3.49Å; P67-W96 HydrophobicContact CB-CB 4.21Å; P67-W96 HydrophobicContact CB-CD2 3.51Å; P67-W96 HydrophobicContact CB-CE3 3.6Å; P67-W96 HydrophobicContact CB-CG 3.77Å; P67-W96 HydrophobicContact CB-CZ3 4.23Å; P67-W96 HydrophobicContact CG-CB 4.17Å; P67-W96 HydrophobicContact CG-CD2 4.28Å; P67-W96 HydrophobicContact CG-CG 4.01Å; I91-W96 WeakPolarHBondContact O-CA 3.44Å; I91-W96 VanDerWaalsContact O-CB 3.32Å; I91-W96 WeakPolarHBondContact O-CB 3.42Å; I91-W96 VanDerWaalsContact O-CE3 3.29Å; I91-W96 PolarHBondContact O-N 3.45Å; Q93-W96 PolarHBondContact O-N 3.23Å; W96-Y100 HydrophobicContact CD2-CD2 4.42Å; W96-Y100 AromaticContact CE3-CD2 3.83Å; W96-Y100 HydrophobicContact CE3-CD2 3.83Å; W96-Y100 HydrophobicContact CZ3-CD2 4.03Å; W96-Y100 HydrophobicContact CZ3-CG 4.31Å; W96-I105 HydrophobicContact CH2-CD1 4.03Å; W96-I105 HydrophobicContact CZ3-CD1 3.83Å; W96-I105 HydrophobicContact CZ3-CG1 4.07Å
97	S	98	Very high	96.6	Very high	36 Å²	36	45.5 Å²	45.5	25%	0.252	24%	0.237	S	C	.	.			trans	-128.3	134.9	173	178.5	0	0	0	0	109.2	R95 T99 Y100	R95-S97 PolarHBondContact O-N 3.47Å; S97-T99 PolarHBondContact O-N 3.39Å; S97-T99 PolarHBondContact OG-N 2.9Å; S97-T99 PolarHBondContact OG-OG1 3.38Å; S97-Y100 VanDerWaalsContact N-CD2 3.33Å; S97-Y100 WeakPolarHBondContact O-CB 3.41Å; S97-Y100 WeakPolarHBondContact O-CD2 3.4Å; S97-Y100 PolarHBondContact O-N 3.31Å
98	P	97.6	Very high	96.6	Very high	57 Å²	57	46.6 Å²	46.6	37%	0.37	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-9	175.1	-23.4	34	0	0	0	114.8	R8 P64	R8-P98 PolarHBondContact NH1-O 2.8Å; P64-P98 HydrophobicContact CB-CB 4.21Å; P64-P98 HydrophobicContact CG-CB 4.13Å; P64-P98 VanDerWaalsContact O-CA 3.28Å; P64-P98 WeakPolarHBondContact O-CA 3.38Å; P64-P98 WeakPolarHBondContact O-CB 3.5Å
99	T	97.6	Very high	96.8	Very high	109 Å²	109	45.2 Å²	45.2	67%	0.669	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-23.7	172.7	61.5	0	0	0	0	113	S97	S97-T99 PolarHBondContact O-N 3.39Å; S97-T99 PolarHBondContact OG-N 2.9Å; S97-T99 PolarHBondContact OG-OG1 3.38Å
100	Y	98.1	Very high	96.9	Very high	69 Å²	69	45.7 Å²	45.7	27%	0.271	24%	0.238	S	C	.	.			trans	-67.8	138.2	174.6	-62.2	-47.5	0	0	0	111	R8 Y63 I91 R95 W96 S97 S104	R8-Y100 PolarHBondContact NH2-O 3.34Å; Y63-Y100 PolarHBondContact OH-O 3.04Å; I91-Y100 HydrophobicContact CB-CD2 4.48Å; I91-Y100 HydrophobicContact CB-CE2 3.97Å; I91-Y100 HydrophobicContact CG2-CE2 4.08Å; R95-Y100 WeakPolarHBondContact O-CE2 3.22Å; W96-Y100 HydrophobicContact CD2-CD2 4.42Å; W96-Y100 AromaticContact CE3-CD2 3.83Å; W96-Y100 HydrophobicContact CE3-CD2 3.83Å; W96-Y100 HydrophobicContact CZ3-CD2 4.03Å; W96-Y100 HydrophobicContact CZ3-CG 4.31Å; S97-Y100 VanDerWaalsContact N-CD2 3.33Å; S97-Y100 WeakPolarHBondContact O-CB 3.41Å; S97-Y100 WeakPolarHBondContact O-CD2 3.4Å; S97-Y100 PolarHBondContact O-N 3.31Å; Y100-S104 WeakPolarHBondContact CA-OG 3.35Å; Y100-S104 WeakPolarHBondContact CB-OG 3.14Å
101	D	97.6	Very high	97.1	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.037	24%	0.243	C	C	.	.			trans	-117.6	177.5	172.8	60	16.5	0	0	0	111.3	D12 R15 S103 S104 I105	D12-D101 HydrophobicContact CB-CB 4.39Å; D12-D101 WeakPolarHBondContact OD2-CA 3.29Å; D12-D101 VanDerWaalsContact OD2-CB 3.25Å; D12-D101 WeakPolarHBondContact OD2-CB 3.39Å; R15-D101 WeakPolarHBondContact CD-OD2 3.31Å; R15-D101 IonicContact CZ-OD2 3.93Å; R15-D101 VanDerWaalsContact CZ-OD2 3.28Å; R15-D101 IonicContact NE-OD2 3.45Å; R15-D101 PolarHBondContact NE-OD2 3.1Å; R15-D101 IonicContact NH1-OD2 3.28Å; R15-D101 PolarHBondContact NH1-OD2 2.95Å; D101-S103 VanDerWaalsContact C-N 3.28Å; D101-S103 PolarHBondContact O-N 3.46Å; D101-S103 PolarHBondContact OD1-N 2.86Å; D101-S104 PolarHBondContact N-OG 3.34Å; D101-S104 PolarHBondContact O-N 3.27Å; D101-S104 PolarHBondContact O-OG 3.31Å; D101-S104 WeakPolarHBondContact OD1-CB 3.3Å; D101-S104 PolarHBondContact OD1-N 3.36Å; D101-S104 PolarHBondContact OD1-OG 2.72Å; D101-I105 WeakPolarHBondContact O-CG1 3.33Å; D101-I105 PolarHBondContact O-N 3.23Å
102	V	98.2	Very high	97.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-55.6	-41.2	179.4	-176.6	0	0	0	0	112.4	D12 L16 W36 I57 F59 I105 L106	D12-V102 HydrophobicContact CB-CB 4.46Å; D12-V102 HydrophobicContact CB-CG2 3.96Å; L16-V102 HydrophobicContact CD2-CG1 4.19Å; W36-V102 HydrophobicContact CE3-CG1 3.94Å; W36-V102 HydrophobicContact CE3-CG2 4.42Å; W36-V102 HydrophobicContact CH2-CB 4.37Å; W36-V102 HydrophobicContact CH2-CG1 4.44Å; W36-V102 HydrophobicContact CH2-CG2 3.9Å; W36-V102 HydrophobicContact CZ2-CG2 4.31Å; W36-V102 HydrophobicContact CZ3-CB 4.13Å; W36-V102 HydrophobicContact CZ3-CG1 3.73Å; W36-V102 HydrophobicContact CZ3-CG2 4.01Å; I57-V102 HydrophobicContact CD1-CG1 4.12Å; F59-V102 HydrophobicContact CE1-CG2 4.3Å; F59-V102 HydrophobicContact CZ-CG2 3.79Å; V102-I105 PolarHBondContact O-N 3.02Å; V102-L106 HydrophobicContact CG1-CD1 4.04Å; V102-L106 HydrophobicContact CG1-CG 4.32Å; V102-L106 WeakPolarHBondContact O-CG 3.49Å; V102-L106 PolarHBondContact O-N 3.02Å
103	S	97.4	Very high	97.2	Very high	9 Å²	9	45.1 Å²	45.1	6%	0.063	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-50.8	177.2	-59.8	0	0	0	0	111.4	L16 D101 I105 L106 T107	L16-S103 WeakPolarHBondContact CD1-OG 3.47Å; D101-S103 VanDerWaalsContact C-N 3.28Å; D101-S103 PolarHBondContact O-N 3.46Å; D101-S103 PolarHBondContact OD1-N 2.86Å; S103-I105 VanDerWaalsContact C-N 3.31Å; S103-I105 PolarHBondContact O-N 2.95Å; S103-L106 PolarHBondContact O-N 2.85Å; S103-T107 PolarHBondContact O-N 3.21Å; S103-T107 PolarHBondContact O-OG1 3.37Å; S103-T107 VanDerWaalsContact O-OG1 3.06Å
104	S	97.3	Very high	97.3	Very high	31 Å²	31	44.4 Å²	44.4	22%	0.217	24%	0.239	C	C	.	.	H	α-helix	trans	-63.6	-34.1	179.8	64.8	0	0	0	0	113.5	Y100 D101 S108	Y100-S104 WeakPolarHBondContact CA-OG 3.35Å; Y100-S104 WeakPolarHBondContact CB-OG 3.14Å; D101-S104 PolarHBondContact N-OG 3.34Å; D101-S104 PolarHBondContact O-N 3.27Å; D101-S104 PolarHBondContact O-OG 3.31Å; D101-S104 WeakPolarHBondContact OD1-CB 3.3Å; D101-S104 PolarHBondContact OD1-N 3.36Å; D101-S104 PolarHBondContact OD1-OG 2.72Å; S104-S108 VanDerWaalsContact O-CB 3.3Å; S104-S108 WeakPolarHBondContact O-CB 3.29Å; S104-S108 PolarHBondContact O-N 2.94Å; S104-S108 PolarHBondContact O-OG 3.43Å
105	I	98.3	Very high	97.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-52.1	174.2	-68.4	164.9	0	0	0	110.2	P68 V70 L92 W96 D101 V102 S103 T107 S108 I109	P68-I105 HydrophobicContact CG-CD1 3.72Å; V70-I105 HydrophobicContact CG2-CG2 4.11Å; L92-I105 HydrophobicContact CD2-CG1 4.43Å; L92-I105 HydrophobicContact CD2-CG2 4.08Å; W96-I105 HydrophobicContact CH2-CD1 4.03Å; W96-I105 HydrophobicContact CZ3-CD1 3.83Å; W96-I105 HydrophobicContact CZ3-CG1 4.07Å; D101-I105 WeakPolarHBondContact O-CG1 3.33Å; D101-I105 PolarHBondContact O-N 3.23Å; V102-I105 PolarHBondContact O-N 3.02Å; S103-I105 VanDerWaalsContact C-N 3.31Å; S103-I105 PolarHBondContact O-N 2.95Å; I105-T107 PolarHBondContact O-N 3.23Å; I105-S108 PolarHBondContact O-N 2.85Å; I105-I109 HydrophobicContact CG2-CD1 3.86Å; I105-I109 WeakPolarHBondContact O-CG1 3.35Å; I105-I109 PolarHBondContact O-N 2.84Å
106	L	98.4	Very high	97.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.4	-43.2	-178	-69.1	177.6	0	0	0	111.8	L16 V24 A38 I40 I57 V102 S103 S108 I109 Q110	L16-L106 HydrophobicContact CD2-CD1 4.43Å; V24-L106 HydrophobicContact CB-CB 3.97Å; V24-L106 HydrophobicContact CB-CD1 4.38Å; V24-L106 HydrophobicContact CG1-CB 4.15Å; V24-L106 HydrophobicContact CG2-CB 3.94Å; V24-L106 HydrophobicContact CG2-CD1 4.32Å; A38-L106 HydrophobicContact CB-CD1 4.15Å; A38-L106 HydrophobicContact CB-CD2 3.65Å; I40-L106 HydrophobicContact CD1-CD2 4.27Å; I40-L106 HydrophobicContact CG1-CD2 4.38Å; I57-L106 HydrophobicContact CD1-CD2 4.12Å; V102-L106 HydrophobicContact CG1-CD1 4.04Å; V102-L106 HydrophobicContact CG1-CG 4.32Å; V102-L106 WeakPolarHBondContact O-CG 3.49Å; V102-L106 PolarHBondContact O-N 3.02Å; S103-L106 PolarHBondContact O-N 2.85Å; L106-S108 VanDerWaalsContact C-N 3.32Å; L106-S108 PolarHBondContact O-N 3.35Å; L106-I109 PolarHBondContact O-N 3.01Å; L106-Q110 WeakPolarHBondContact O-CB 3.45Å; L106-Q110 PolarHBondContact O-N 2.83Å
107	T	97.8	Very high	97	Very high	48 Å²	48	40.1 Å²	40.1	29%	0.294	23%	0.227	S	C	.	.	H	α-helix	trans	-61.2	-41.3	175.2	-58.8	0	0	0	0	111.5	P21 S103 I105 I109 Q110 S111	P21-T107 WeakPolarHBondContact CB-OG1 3.24Å; S103-T107 PolarHBondContact O-N 3.21Å; S103-T107 PolarHBondContact O-OG1 3.37Å; S103-T107 VanDerWaalsContact O-OG1 3.06Å; I105-T107 PolarHBondContact O-N 3.23Å; T107-I109 VanDerWaalsContact C-N 3.35Å; T107-I109 PolarHBondContact O-N 3.49Å; T107-Q110 WeakPolarHBondContact O-CB 3.25Å; T107-Q110 PolarHBondContact O-N 3.04Å; T107-S111 PolarHBondContact O-N 2.99Å; T107-S111 PolarHBondContact O-OG 2.8Å; T107-S111 VanDerWaalsContact O-OG 3.14Å
108	S	97.9	Very high	96.6	Very high	37 Å²	37	39.5 Å²	39.5	26%	0.259	22%	0.223	S	C	.	.	H	α-helix	trans	-67.5	-35.1	179.1	-60.6	0	0	0	0	112.6	I91 S104 I105 L106 L112	I91-S108 VanDerWaalsContact CD1-CB 3.46Å; I91-S108 WeakPolarHBondContact CD1-OG 3.36Å; S104-S108 VanDerWaalsContact O-CB 3.3Å; S104-S108 WeakPolarHBondContact O-CB 3.29Å; S104-S108 PolarHBondContact O-N 2.94Å; S104-S108 PolarHBondContact O-OG 3.43Å; I105-S108 PolarHBondContact O-N 2.85Å; L106-S108 VanDerWaalsContact C-N 3.32Å; L106-S108 PolarHBondContact O-N 3.35Å; S108-L112 PolarHBondContact O-N 2.9Å; S108-L112 VanDerWaalsContact O-N 3.08Å
109	I	98.3	Very high	96.2	Very high	1 Å²	1	43 Å²	43	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-69.3	-38.9	173.2	-63.8	164.7	0	0	0	110.6	I40 L55 V70 F72 I87 L89 I105 L106 T107 L112 L113	I40-I109 HydrophobicContact CD1-CB 3.66Å; I40-I109 HydrophobicContact CD1-CG2 3.4Å; I40-I109 VanDerWaalsContact CD1-CG2 3.4Å; L55-I109 HydrophobicContact CD2-CD1 4.16Å; L55-I109 HydrophobicContact CD2-CG2 4.16Å; V70-I109 HydrophobicContact CB-CD1 4.4Å; V70-I109 HydrophobicContact CG1-CD1 3.67Å; F72-I109 HydrophobicContact CE2-CG2 4.03Å; F72-I109 HydrophobicContact CZ-CG2 3.66Å; I87-I109 HydrophobicContact CD1-CD1 3.77Å; I87-I109 HydrophobicContact CD1-CG1 4.04Å; I87-I109 HydrophobicContact CD1-CG2 3.93Å; L89-I109 HydrophobicContact CD2-CG1 3.93Å; I105-I109 HydrophobicContact CG2-CD1 3.86Å; I105-I109 WeakPolarHBondContact O-CG1 3.35Å; I105-I109 PolarHBondContact O-N 2.84Å; L106-I109 PolarHBondContact O-N 3.01Å; T107-I109 VanDerWaalsContact C-N 3.35Å; T107-I109 PolarHBondContact O-N 3.49Å; I109-L112 WeakPolarHBondContact O-CB 3.46Å; I109-L112 PolarHBondContact O-N 3.14Å; I109-L113 PolarHBondContact O-N 2.98Å
110	Q	97.9	Very high	95.7	Very high	31 Å²	31	41.6 Å²	41.6	15%	0.145	23%	0.233	C	C	.	.	H	α-helix	trans	-62.9	-45.8	174.8	-176.6	-174.7	49	0	0	111.3	V22 G23 V24 I40 F41 P43 L106 T107 L112 L113 D114	V22-Q110 PolarHBondContact O-NE2 3.14Å; V22-Q110 PolarHBondContact O-OE1 3.04Å; G23-Q110 PolarHBondContact O-NE2 3.24Å; V24-Q110 HydrophobicContact CG1-CB 4.08Å; V24-Q110 HydrophobicContact CG1-CG 4.47Å; I40-Q110 HydrophobicContact CG2-CB 3.87Å; I40-Q110 HydrophobicContact CG2-CG 3.98Å; F41-Q110 PolarHBondContact O-NE2 3.05Å; P43-Q110 HydrophobicContact CG-CG 3.85Å; L106-Q110 WeakPolarHBondContact O-CB 3.45Å; L106-Q110 PolarHBondContact O-N 2.83Å; T107-Q110 WeakPolarHBondContact O-CB 3.25Å; T107-Q110 PolarHBondContact O-N 3.04Å; Q110-L112 PolarHBondContact O-N 2.87Å; Q110-L113 WeakPolarHBondContact O-CB 3.4Å; Q110-L113 PolarHBondContact O-N 2.98Å; Q110-D114 PolarHBondContact O-N 3.37Å
111	S	97.1	Very high	95.5	Very high	61 Å²	61	40.6 Å²	40.6	43%	0.427	24%	0.235	S	C	.	.	H	α-helix	trans	-60.1	-32	174.3	-60.9	0	0	0	0	112.5	T107 L113 D114 E115	T107-S111 PolarHBondContact O-N 2.99Å; T107-S111 PolarHBondContact O-OG 2.8Å; T107-S111 VanDerWaalsContact O-OG 3.14Å; S111-L113 VanDerWaalsContact C-N 3.26Å; S111-L113 PolarHBondContact O-N 2.64Å; S111-D114 PolarHBondContact O-N 2.64Å; S111-E115 PolarHBondContact O-N 2.99Å
112	L	96.7	Very high	95.4	Very high	18 Å²	18	41.1 Å²	41.1	9%	0.094	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-29.6	175.3	-173.6	64.2	0	0	0	112.7	H78 N80 I87 L89 S108 I109 Q110 D114 E115	H78-L112 PolarHBondContact CE1-O 2.87Å; H78-L112 PolarHBondContact NE2-O 2.78Å; N80-L112 HydrophobicContact CB-CD1 4.07Å; N80-L112 HydrophobicContact CB-CD2 3.88Å; N80-L112 HydrophobicContact CB-CG 4.23Å; I87-L112 HydrophobicContact CG2-CD2 3.74Å; L89-L112 HydrophobicContact CB-CD2 4.39Å; L89-L112 HydrophobicContact CD1-CD2 4.34Å; S108-L112 PolarHBondContact O-N 2.9Å; S108-L112 VanDerWaalsContact O-N 3.08Å; I109-L112 WeakPolarHBondContact O-CB 3.46Å; I109-L112 PolarHBondContact O-N 3.14Å; Q110-L112 PolarHBondContact O-N 2.87Å; L112-D114 VanDerWaalsContact C-N 3.34Å; L112-E115 CarbonylContact O-C 3.57Å
113	L	97	Very high	95.4	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-70.9	-32	174.7	-60.8	-179.8	0	0	0	112.3	I40 P43 F48 F53 F72 M76 I109 Q110 S111	I40-L113 HydrophobicContact CG2-CD1 3.93Å; P43-L113 HydrophobicContact CG-CB 4.23Å; F48-L113 HydrophobicContact CD1-CD2 4.43Å; F48-L113 HydrophobicContact CD2-CB 4.06Å; F48-L113 HydrophobicContact CD2-CD2 4.48Å; F48-L113 WeakPolarHBondContact CD2-O 3.44Å; F48-L113 HydrophobicContact CE1-CD2 4.33Å; F48-L113 HydrophobicContact CE2-CD2 4.39Å; F48-L113 HydrophobicContact CG-CB 4.39Å; F48-L113 HydrophobicContact CZ-CD2 4.34Å; F53-L113 HydrophobicContact CD2-CD1 4.13Å; F53-L113 HydrophobicContact CE2-CD1 4.4Å; F72-L113 HydrophobicContact CZ-CD2 4.45Å; M76-L113 HydrophobicContact CE-CD2 3.78Å; I109-L113 PolarHBondContact O-N 2.98Å; Q110-L113 WeakPolarHBondContact O-CB 3.4Å; Q110-L113 PolarHBondContact O-N 2.98Å; S111-L113 VanDerWaalsContact C-N 3.26Å; S111-L113 PolarHBondContact O-N 2.64Å
114	D	95.8	Very high	95.4	Very high	86 Å²	86	46.4 Å²	46.4	46%	0.46	27%	0.274	S	S	.	.	H	α-helix	trans	-77.6	-44.5	176.9	-172.7	21.8	0	0	0	111.7	P43 T46 Q110 S111 L112 P116	P43-D114 HydrophobicContact CB-CB 4.41Å; P43-D114 HydrophobicContact CG-CB 4.25Å; T46-D114 HydrophobicContact CG2-CB 4.02Å; T46-D114 VanDerWaalsContact CG2-OD1 3.24Å; T46-D114 WeakPolarHBondContact CG2-OD1 3.35Å; Q110-D114 PolarHBondContact O-N 3.37Å; S111-D114 PolarHBondContact O-N 2.64Å; L112-D114 VanDerWaalsContact C-N 3.34Å; D114-P116 VanDerWaalsContact C-CD 3.47Å; D114-P116 WeakPolarHBondContact O-CD 3.38Å
115	E	94.6	Very high	95.4	Very high	150 Å²	150	49.6 Å²	49.6	70%	0.701	29%	0.286	S	S	*	.	S	Bend	trans	-118.5	77.8	-178.7	-61.6	-174.8	172	0	0	112.2	S111 L112	S111-E115 PolarHBondContact O-N 2.99Å; L112-E115 CarbonylContact O-C 3.57Å
116	P	93.7	Very high	95.4	Very high	14 Å²	14	49.6 Å²	49.6	9%	0.091	29%	0.286	C	S	.	.			trans	-61	143.2	175.4	-20.3	29.1	0	0	0	112.4	H78 P79 D114 P118 Y130	H78-P116 WeakPolarHBondContact NE2-CG 3.44Å; P79-P116 HydrophobicContact CB-CB 4.33Å; P79-P116 HydrophobicContact CG-CB 3.83Å; D114-P116 VanDerWaalsContact C-CD 3.47Å; D114-P116 WeakPolarHBondContact O-CD 3.38Å; P116-P118 WeakPolarHBondContact O-CD 3.44Å; P116-Y130 HydrophobicContact CB-CE1 4.3Å; P116-Y130 HydrophobicContact CG-CE2 4.05Å
117	N	92.1	Very high	95.4	Very high	74 Å²	74	49.8 Å²	49.8	40%	0.396	29%	0.287	S	S	.	.			trans	-104	96.9	173	-179.4	1.1	0	0	0	111.2	N80 N119	N80-N117 PolarHBondContact ND2-O 3.16Å; N80-N117 PolarHBondContact OD1-N 3.03Å; N80-N117 PolarHBondContact OD1-O 3.5Å; N117-N119 VanDerWaalsContact C-N 3.29Å; N117-N119 PolarHBondContact O-N 3.28Å; N117-N119 WeakPolarHBondContact OD1-CB 3.46Å; N117-N119 PolarHBondContact OD1-N 3.02Å; N117-N119 VanDerWaalsContact OD1-N 3.14Å
118	P	90.2	Very high	95.4	Very high	24 Å²	24	52.3 Å²	52.3	16%	0.156	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-6.4	-176.9	34.7	-38.6	0	0	0	114	P116 S120 A127 Y130 Q131	P116-P118 WeakPolarHBondContact O-CD 3.44Å; P118-S120 VanDerWaalsContact C-N 3.31Å; P118-S120 PolarHBondContact O-N 3.35Å; P118-A127 HydrophobicContact CB-CB 4.23Å; P118-Y130 HydrophobicContact CB-CD1 4.25Å; P118-Y130 HydrophobicContact CG-CD1 4.26Å; P118-Y130 HydrophobicContact CG-CE1 4.38Å; P118-Q131 HydrophobicContact CB-CG 3.96Å; P118-Q131 HydrophobicContact CG-CG 4.17Å
119	N	88.8	Confident	95.4	Very high	131 Å²	131	51.7 Å²	51.7	70%	0.701	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-18	-175.9	-62.5	-43.8	0	0	0	113.6	N117	N117-N119 VanDerWaalsContact C-N 3.29Å; N117-N119 PolarHBondContact O-N 3.28Å; N117-N119 WeakPolarHBondContact OD1-CB 3.46Å; N117-N119 PolarHBondContact OD1-N 3.02Å; N117-N119 VanDerWaalsContact OD1-N 3.14Å
120	S	87	Confident	95.3	Very high	79 Å²	79	55.1 Å²	55.1	55%	0.552	30%	0.303	S	S	*	.	S	Bend	trans	-143.1	71.9	177.2	-65	0	0	0	0	109.4	P118	P118-S120 VanDerWaalsContact C-N 3.31Å; P118-S120 PolarHBondContact O-N 3.35Å
121	P	93.6	Very high	95.3	Very high	48 Å²	48	59.1 Å²	59.1	31%	0.312	32%	0.321	S	S	.	.			trans	-80.8	136.6	-167.5	33.5	-35.2	0	0	0	112.1	P79 A127	P79-P121 CarbonylContact O-C 3.56Å; P79-P121 WeakPolarHBondContact O-CA 3.25Å; P121-A127 HydrophobicContact CB-CB 3.43Å; P121-A127 VanDerWaalsContact CB-CB 3.43Å; P121-A127 HydrophobicContact CG-CB 3.95Å
122	A	96.3	Very high	95.3	Very high	17 Å²	17	63 Å²	63	14%	0.14	33%	0.332	C	S	.	.	S	Bend	trans	-75.5	-30.9	163.9	0	0	0	0	0	111.4	P79 Y82 C88	P79-A122 PolarHBondContact O-N 3.37Å; Y82-A122 HydrophobicContact CD1-CB 3.7Å; Y82-A122 HydrophobicContact CD2-CB 3.68Å; Y82-A122 HydrophobicContact CE1-CB 3.64Å; Y82-A122 HydrophobicContact CE2-CB 3.63Å; Y82-A122 HydrophobicContact CG-CB 3.72Å; C88-A122 HydrophobicContact CB-CB 3.99Å
123	N	97.8	Very high	95.3	Very high	34 Å²	34	65.6 Å²	65.6	18%	0.182	35%	0.347	C	S	.	.	S	Bend	trans	-122.3	95.3	175.5	-176.8	-21.7	0	0	0	109.6	H78 P79 V81 Q125 A126 A127	H78-N123 WeakPolarHBondContact O-CB 3.36Å; P79-N123 PolarHBondContact O-N 2.86Å; V81-N123 WeakPolarHBondContact O-CB 3.25Å; N123-Q125 PolarHBondContact O-N 3.31Å; N123-Q125 PolarHBondContact OD1-N 3.37Å; N123-A126 HydrophobicContact CB-CB 4Å; N123-A126 PolarHBondContact O-N 2.81Å; N123-A126 PolarHBondContact OD1-N 3.42Å; N123-A127 PolarHBondContact O-N 3.15Å
124	S	97.3	Very high	95.3	Very high	87 Å²	87	71.1 Å²	71.1	61%	0.608	37%	0.37	S	S	*	.	H	α-helix	trans	-60.2	-32.4	-177.9	-49.7	0	0	0	0	112.9	Q128	S124-Q128 WeakPolarHBondContact O-CB 3.27Å; S124-Q128 PolarHBondContact O-N 2.95Å
125	Q	97.6	Very high	95.4	Very high	98 Å²	98	76.7 Å²	76.7	46%	0.458	39%	0.385	S	S	.	.	H	α-helix	trans	-69.4	-45	178.3	-173.3	179.8	40.7	0	0	111.4	F77 N123 A127 Q128 L129 R140	F77-Q125 HydrophobicContact CE2-CG 4.47Å; F77-Q125 HydrophobicContact CZ-CG 4.29Å; N123-Q125 PolarHBondContact O-N 3.31Å; N123-Q125 PolarHBondContact OD1-N 3.37Å; Q125-A127 VanDerWaalsContact C-N 3.32Å; Q125-A127 PolarHBondContact O-N 2.78Å; Q125-Q128 PolarHBondContact O-N 3.04Å; Q125-L129 HydrophobicContact CG-CD1 4.48Å; Q125-L129 WeakPolarHBondContact O-CG 3.32Å; Q125-L129 PolarHBondContact O-N 3.47Å; Q125-R140 VanDerWaalsContact OE1-NH1 3.15Å
126	A	97.8	Very high	95.6	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-62.2	-42.3	176	0	0	0	0	0	111	F77 P79 N123 L129 Y130 Y137	F77-A126 HydrophobicContact CD1-CB 4.15Å; F77-A126 HydrophobicContact CD2-CB 4.39Å; F77-A126 HydrophobicContact CE1-CB 3.82Å; F77-A126 HydrophobicContact CE2-CB 4.07Å; F77-A126 HydrophobicContact CG-CB 4.41Å; F77-A126 HydrophobicContact CZ-CB 3.76Å; P79-A126 HydrophobicContact CG-CB 4.32Å; N123-A126 HydrophobicContact CB-CB 4Å; N123-A126 PolarHBondContact O-N 2.81Å; N123-A126 PolarHBondContact OD1-N 3.42Å; A126-L129 PolarHBondContact O-N 2.76Å; A126-Y130 VanDerWaalsContact O-CB 3.24Å; A126-Y130 WeakPolarHBondContact O-CB 3.35Å; A126-Y130 PolarHBondContact O-N 3.3Å; A126-Y137 HydrophobicContact CB-CE2 4.41Å
127	A	97.8	Very high	95.8	Very high	3 Å²	3	71.5 Å²	71.5	3%	0.025	36%	0.36	C	S	.	.	H	α-helix	trans	-63.5	-45	177.5	0	0	0	0	0	113	P79 P118 P121 N123 Q125 Y130 Q131	P79-A127 HydrophobicContact CB-CB 4.04Å; P118-A127 HydrophobicContact CB-CB 4.23Å; P121-A127 HydrophobicContact CB-CB 3.43Å; P121-A127 VanDerWaalsContact CB-CB 3.43Å; P121-A127 HydrophobicContact CG-CB 3.95Å; N123-A127 PolarHBondContact O-N 3.15Å; Q125-A127 VanDerWaalsContact C-N 3.32Å; Q125-A127 PolarHBondContact O-N 2.78Å; A127-Y130 PolarHBondContact O-N 2.89Å; A127-Q131 WeakPolarHBondContact O-CG 3.28Å; A127-Q131 PolarHBondContact O-N 2.98Å
128	Q	97.8	Very high	96.1	Very high	101 Å²	101	71.3 Å²	71.3	47%	0.472	36%	0.356	S	S	.	.	H	α-helix	trans	-61	-48.6	176.8	-174.4	-176.1	6.1	0	0	111.1	S124 Q125 Y130 Q131 E132	S124-Q128 WeakPolarHBondContact O-CB 3.27Å; S124-Q128 PolarHBondContact O-N 2.95Å; Q125-Q128 PolarHBondContact O-N 3.04Å; Q128-Y130 VanDerWaalsContact C-N 3.32Å; Q128-Y130 PolarHBondContact O-N 3.35Å; Q128-Q131 PolarHBondContact O-N 3.1Å; Q128-E132 HydrophobicContact CG-CG 4.32Å; Q128-E132 VanDerWaalsContact CG-OE2 3.25Å; Q128-E132 WeakPolarHBondContact CG-OE2 3.43Å; Q128-E132 PolarHBondContact NE2-OE2 3.02Å; Q128-E132 WeakPolarHBondContact O-CB 3.5Å; Q128-E132 PolarHBondContact O-N 3.5Å
129	L	98.1	Very high	96.4	Very high	25 Å²	25	77 Å²	77	13%	0.131	38%	0.378	C	S	.	.	H	α-helix	trans	-64.1	-38.5	178.2	-67.6	179.6	0	0	0	111.8	F77 Q125 A126 Q131 N133 K134 E136	F77-L129 HydrophobicContact CE1-CD1 4.12Å; F77-L129 HydrophobicContact CZ-CD1 3.89Å; Q125-L129 HydrophobicContact CG-CD1 4.48Å; Q125-L129 WeakPolarHBondContact O-CG 3.32Å; Q125-L129 PolarHBondContact O-N 3.47Å; A126-L129 PolarHBondContact O-N 2.76Å; L129-Q131 VanDerWaalsContact C-N 3.27Å; L129-Q131 PolarHBondContact O-N 3Å; L129-N133 HydrophobicContact CD2-CB 4.17Å; L129-N133 CarbonylContact O-C 3.58Å; L129-N133 WeakPolarHBondContact O-CA 3.32Å; L129-N133 PolarHBondContact O-N 3.27Å; L129-K134 PolarHBondContact O-N 3.43Å; L129-E136 HydrophobicContact CD1-CG 4.05Å; L129-E136 HydrophobicContact CD2-CB 4.33Å; L129-E136 HydrophobicContact CD2-CG 4.08Å
130	Y	97.2	Very high	96.9	Very high	73 Å²	73	74.6 Å²	74.6	29%	0.286	36%	0.36	S	S	.	.	H	α-helix	trans	-59.1	-38.8	176	-178.5	-107.7	0	0	0	112.3	P79 P116 P118 A126 A127 Q128 Y137	P79-Y130 HydrophobicContact CG-CG 4.48Å; P116-Y130 HydrophobicContact CB-CE1 4.3Å; P116-Y130 HydrophobicContact CG-CE2 4.05Å; P118-Y130 HydrophobicContact CB-CD1 4.25Å; P118-Y130 HydrophobicContact CG-CD1 4.26Å; P118-Y130 HydrophobicContact CG-CE1 4.38Å; A126-Y130 VanDerWaalsContact O-CB 3.24Å; A126-Y130 WeakPolarHBondContact O-CB 3.35Å; A126-Y130 PolarHBondContact O-N 3.3Å; A127-Y130 PolarHBondContact O-N 2.89Å; Q128-Y130 VanDerWaalsContact C-N 3.32Å; Q128-Y130 PolarHBondContact O-N 3.35Å; Y130-Y137 AromaticContact CD2-CD1 3.9Å; Y130-Y137 HydrophobicContact CD2-CD1 3.9Å; Y130-Y137 AromaticContact CD2-CE1 3.67Å; Y130-Y137 HydrophobicContact CD2-CE1 3.67Å; Y130-Y137 HydrophobicContact CD2-CE2 4.39Å; Y130-Y137 HydrophobicContact CD2-CG 4.35Å; Y130-Y137 AromaticContact CD2-CZ 3.94Å; Y130-Y137 HydrophobicContact CE2-CE1 4.3Å
131	Q	96.4	Very high	97.4	Very high	114 Å²	114	70.9 Å²	70.9	53%	0.533	33%	0.334	S	S	.	.	H	α-helix	trans	-82.7	-41.4	-179.9	-70.1	178.8	-31.4	0	0	113.8	P118 A127 Q128 L129	P118-Q131 HydrophobicContact CB-CG 3.96Å; P118-Q131 HydrophobicContact CG-CG 4.17Å; A127-Q131 WeakPolarHBondContact O-CG 3.28Å; A127-Q131 PolarHBondContact O-N 2.98Å; Q128-Q131 PolarHBondContact O-N 3.1Å; L129-Q131 VanDerWaalsContact C-N 3.27Å; L129-Q131 PolarHBondContact O-N 3Å
132	E	97.3	Very high	97.6	Very high	142 Å²	142	71.2 Å²	71.2	66%	0.664	34%	0.337	S	S	*	.	H	α-helix	trans	-105.4	-25.1	-167.2	-60.8	179.3	173.8	0	0	113.5	Q128	Q128-E132 HydrophobicContact CG-CG 4.32Å; Q128-E132 VanDerWaalsContact CG-OE2 3.25Å; Q128-E132 WeakPolarHBondContact CG-OE2 3.43Å; Q128-E132 PolarHBondContact NE2-OE2 3.02Å; Q128-E132 WeakPolarHBondContact O-CB 3.5Å; Q128-E132 PolarHBondContact O-N 3.5Å
133	N	97.5	Very high	97.7	Very high	74 Å²	74	73 Å²	73	40%	0.396	35%	0.352	S	S	.	.			trans	-149.9	70.5	-174.6	-170.2	-11.3	0	0	0	112	L129 R135 E136 Y137	L129-N133 HydrophobicContact CD2-CB 4.17Å; L129-N133 CarbonylContact O-C 3.58Å; L129-N133 WeakPolarHBondContact O-CA 3.32Å; L129-N133 PolarHBondContact O-N 3.27Å; N133-R135 PolarHBondContact O-N 2.75Å; N133-R135 VanDerWaalsContact O-N 3.13Å; N133-E136 HydrophobicContact CB-CB 4.38Å; N133-E136 PolarHBondContact O-N 2.79Å; N133-E136 PolarHBondContact OD1-N 3.31Å; N133-Y137 PolarHBondContact O-N 2.79Å
134	K	96.2	Very high	97.6	Very high	119 Å²	119	72.3 Å²	72.3	52%	0.517	35%	0.348	S	S	.	.	H	α-helix	trans	-54.1	-35.8	-176.8	-163.6	177.9	-175.1	-173.4	0	113	L129 E136 Y137 E138	L129-K134 PolarHBondContact O-N 3.43Å; K134-E136 PolarHBondContact O-N 2.84Å; K134-Y137 WeakPolarHBondContact O-CB 3.47Å; K134-Y137 PolarHBondContact O-N 2.89Å; K134-E138 WeakPolarHBondContact CE-OE1 3.35Å; K134-E138 HydrophobicContact CG-CG 4.36Å; K134-E138 WeakPolarHBondContact CG-OE1 3.16Å; K134-E138 IonicContact NZ-OE1 3.23Å; K134-E138 WeakPolarHBondContact O-CB 3.32Å; K134-E138 VanDerWaalsContact O-CG 3.29Å; K134-E138 WeakPolarHBondContact O-CG 3.15Å; K134-E138 PolarHBondContact O-N 2.85Å
135	R	98	Very high	97.7	Very high	204 Å²	204	68.7 Å²	68.7	77%	0.77	32%	0.322	S	S	*	.	H	α-helix	trans	-62.8	-44.5	178.3	-166.7	-177.4	87.8	155.2	4.5	112.7	N133 K139	N133-R135 PolarHBondContact O-N 2.75Å; N133-R135 VanDerWaalsContact O-N 3.13Å; R135-K139 WeakPolarHBondContact O-CB 3.47Å; R135-K139 PolarHBondContact O-N 3.43Å
136	E	98.3	Very high	97.6	Very high	53 Å²	53	69.4 Å²	69.4	25%	0.248	33%	0.325	C	S	.	.	H	α-helix	trans	-73	-34	177.7	-179.4	60.8	-160.9	0	0	111.4	L129 N133 K134 R140	L129-E136 HydrophobicContact CD1-CG 4.05Å; L129-E136 HydrophobicContact CD2-CB 4.33Å; L129-E136 HydrophobicContact CD2-CG 4.08Å; N133-E136 HydrophobicContact CB-CB 4.38Å; N133-E136 PolarHBondContact O-N 2.79Å; N133-E136 PolarHBondContact OD1-N 3.31Å; K134-E136 PolarHBondContact O-N 2.84Å; E136-R140 WeakPolarHBondContact O-CG 3.45Å; E136-R140 PolarHBondContact O-N 3.44Å; E136-R140 VanDerWaalsContact O-N 3.13Å; E136-R140 IonicContact OE1-NE 3.42Å; E136-R140 PolarHBondContact OE1-NE 2.94Å; E136-R140 IonicContact OE1-NH2 3.31Å
137	Y	98.3	Very high	97.6	Very high	1 Å²	1	72 Å²	72	0%	0.004	34%	0.337	C	S	.	.	H	α-helix	trans	-57.2	-55.6	170.2	173.3	-99.7	0	0	0	111.1	P47 F48 F77 P79 A126 Y130 N133 K134 K139 R140 V141	P47-Y137 HydrophobicContact CG-CE1 4.2Å; F48-Y137 WeakPolarHBondContact CE2-OH 3.41Å; F77-Y137 HydrophobicContact CD1-CD2 4.23Å; F77-Y137 HydrophobicContact CD1-CE2 4.28Å; F77-Y137 AromaticContact CE1-CD2 3.93Å; F77-Y137 HydrophobicContact CE1-CD2 3.93Å; F77-Y137 HydrophobicContact CE1-CE2 4.34Å; P79-Y137 HydrophobicContact CG-CE2 4.49Å; A126-Y137 HydrophobicContact CB-CE2 4.41Å; Y130-Y137 AromaticContact CD2-CD1 3.9Å; Y130-Y137 HydrophobicContact CD2-CD1 3.9Å; Y130-Y137 AromaticContact CD2-CE1 3.67Å; Y130-Y137 HydrophobicContact CD2-CE1 3.67Å; Y130-Y137 HydrophobicContact CD2-CE2 4.39Å; Y130-Y137 HydrophobicContact CD2-CG 4.35Å; Y130-Y137 AromaticContact CD2-CZ 3.94Å; Y130-Y137 HydrophobicContact CE2-CE1 4.3Å; N133-Y137 PolarHBondContact O-N 2.79Å; K134-Y137 WeakPolarHBondContact O-CB 3.47Å; K134-Y137 PolarHBondContact O-N 2.89Å; Y137-K139 VanDerWaalsContact C-N 3.33Å; Y137-K139 PolarHBondContact O-N 3.04Å; Y137-R140 WeakPolarHBondContact O-CB 3.34Å; Y137-R140 PolarHBondContact O-N 3.31Å; Y137-V141 HydrophobicContact CD1-CG2 4.22Å; Y137-V141 HydrophobicContact CD2-CG2 4.32Å; Y137-V141 HydrophobicContact CE1-CG2 3.79Å; Y137-V141 HydrophobicContact CE2-CG2 3.88Å; Y137-V141 HydrophobicContact CG-CG2 4.47Å; Y137-V141 WeakPolarHBondContact O-CG2 3.27Å; Y137-V141 PolarHBondContact O-N 3.34Å
138	E	98.1	Very high	97.5	Very high	71 Å²	71	72.1 Å²	72.1	33%	0.332	34%	0.338	S	S	.	.	H	α-helix	trans	-56.5	-46	179.7	-74.8	171.3	-178.4	0	0	111.4	P47 K134 R140 V141 S142	P47-E138 HydrophobicContact CB-CG 4.08Å; P47-E138 HydrophobicContact CG-CG 3.74Å; K134-E138 WeakPolarHBondContact CE-OE1 3.35Å; K134-E138 HydrophobicContact CG-CG 4.36Å; K134-E138 WeakPolarHBondContact CG-OE1 3.16Å; K134-E138 IonicContact NZ-OE1 3.23Å; K134-E138 WeakPolarHBondContact O-CB 3.32Å; K134-E138 VanDerWaalsContact O-CG 3.29Å; K134-E138 WeakPolarHBondContact O-CG 3.15Å; K134-E138 PolarHBondContact O-N 2.85Å; E138-R140 VanDerWaalsContact C-N 3.28Å; E138-R140 PolarHBondContact O-N 2.93Å; E138-V141 PolarHBondContact O-N 3.43Å; E138-V141 VanDerWaalsContact O-N 3.1Å; E138-S142 PolarHBondContact O-N 3.45Å; E138-S142 PolarHBondContact O-OG 3.23Å; E138-S142 VanDerWaalsContact O-OG 3.06Å
139	K	98.3	Very high	97.3	Very high	142 Å²	142	74.2 Å²	74.2	62%	0.617	34%	0.342	S	S	*	.	H	α-helix	trans	-56.2	-40.6	176.3	-176.3	-175.5	174.6	-168.9	0	112.8	R135 Y137 A143	R135-K139 WeakPolarHBondContact O-CB 3.47Å; R135-K139 PolarHBondContact O-N 3.43Å; Y137-K139 VanDerWaalsContact C-N 3.33Å; Y137-K139 PolarHBondContact O-N 3.04Å; K139-A143 PolarHBondContact O-N 2.78Å
140	R	98.2	Very high	96.9	Very high	82 Å²	82	78.9 Å²	78.9	31%	0.309	37%	0.367	S	S	.	.	H	α-helix	trans	-71.7	-38.4	177.5	-72.1	-178.6	179	-147.3	3.4	112	F77 Q125 E136 Y137 E138 A143 I144	F77-R140 HydrophobicContact CD1-CB 3.65Å; F77-R140 HydrophobicContact CE1-CB 3.81Å; F77-R140 HydrophobicContact CE1-CG 4.37Å; F77-R140 HydrophobicContact CG-CB 4.23Å; Q125-R140 VanDerWaalsContact OE1-NH1 3.15Å; E136-R140 WeakPolarHBondContact O-CG 3.45Å; E136-R140 PolarHBondContact O-N 3.44Å; E136-R140 VanDerWaalsContact O-N 3.13Å; E136-R140 IonicContact OE1-NE 3.42Å; E136-R140 PolarHBondContact OE1-NE 2.94Å; E136-R140 IonicContact OE1-NH2 3.31Å; Y137-R140 WeakPolarHBondContact O-CB 3.34Å; Y137-R140 PolarHBondContact O-N 3.31Å; E138-R140 VanDerWaalsContact C-N 3.28Å; E138-R140 PolarHBondContact O-N 2.93Å; R140-A143 PolarHBondContact O-N 3.46Å; R140-I144 WeakPolarHBondContact O-CG1 3.27Å; R140-I144 PolarHBondContact O-N 3.5Å
141	V	98.3	Very high	95.6	Very high	0 Å²	0	78 Å²	78	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-65.8	-41.6	175.9	-179.2	0	0	0	0	110.9	P47 F48 F77 Y137 E138 A143 I144 V145	P47-V141 HydrophobicContact CB-CB 3.98Å; P47-V141 HydrophobicContact CB-CG1 3.87Å; P47-V141 HydrophobicContact CB-CG2 4.45Å; P47-V141 VanDerWaalsContact O-CG1 3.26Å; P47-V141 WeakPolarHBondContact O-CG1 3.3Å; F48-V141 HydrophobicContact CD1-CG1 3.45Å; F48-V141 VanDerWaalsContact CD1-CG1 3.45Å; F48-V141 HydrophobicContact CD2-CG1 4.13Å; F48-V141 HydrophobicContact CE1-CG1 3.41Å; F48-V141 VanDerWaalsContact CE1-CG1 3.41Å; F48-V141 HydrophobicContact CE1-CG2 4.34Å; F48-V141 HydrophobicContact CE2-CG1 4.09Å; F48-V141 HydrophobicContact CG-CG1 3.8Å; F48-V141 HydrophobicContact CZ-CG1 3.72Å; F48-V141 HydrophobicContact CZ-CG2 4Å; F77-V141 HydrophobicContact CD1-CG2 4.29Å; Y137-V141 HydrophobicContact CD1-CG2 4.22Å; Y137-V141 HydrophobicContact CD2-CG2 4.32Å; Y137-V141 HydrophobicContact CE1-CG2 3.79Å; Y137-V141 HydrophobicContact CE2-CG2 3.88Å; Y137-V141 HydrophobicContact CG-CG2 4.47Å; Y137-V141 WeakPolarHBondContact O-CG2 3.27Å; Y137-V141 PolarHBondContact O-N 3.34Å; E138-V141 PolarHBondContact O-N 3.43Å; E138-V141 VanDerWaalsContact O-N 3.1Å; V141-A143 VanDerWaalsContact C-N 3.27Å; V141-A143 PolarHBondContact O-N 3.4Å; V141-I144 CarbonylContact O-C 3.58Å; V141-I144 WeakPolarHBondContact O-CA 3.12Å; V141-I144 VanDerWaalsContact O-CB 3.31Å; V141-I144 WeakPolarHBondContact O-CB 3.42Å; V141-I144 PolarHBondContact O-N 2.9Å; V141-V145 HydrophobicContact CG1-CG2 4.44Å; V141-V145 PolarHBondContact O-N 3.47Å
142	S	97.4	Very high	93.5	Very high	55 Å²	55	80.4 Å²	80.4	39%	0.385	40%	0.396	S	S	.	.	H	α-helix	trans	-58.1	-39	176.1	-56.6	0	0	0	0	112.5	E138 I144 V145 E146	E138-S142 PolarHBondContact O-N 3.45Å; E138-S142 PolarHBondContact O-OG 3.23Å; E138-S142 VanDerWaalsContact O-OG 3.06Å; S142-I144 VanDerWaalsContact C-N 3.26Å; S142-I144 PolarHBondContact O-N 3.17Å; S142-V145 WeakPolarHBondContact O-CB 3.43Å; S142-V145 PolarHBondContact O-N 2.91Å; S142-E146 WeakPolarHBondContact O-CG 3.35Å; S142-E146 PolarHBondContact O-N 3.31Å
143	A	97.5	Very high	93.3	Very high	54 Å²	54	77.3 Å²	77.3	45%	0.446	38%	0.383	S	S	.	.	H	α-helix	trans	-63.8	-32.9	174.3	0	0	0	0	0	112.6	K139 R140 V141 Q147	K139-A143 PolarHBondContact O-N 2.78Å; R140-A143 PolarHBondContact O-N 3.46Å; V141-A143 VanDerWaalsContact C-N 3.27Å; V141-A143 PolarHBondContact O-N 3.4Å; A143-Q147 WeakPolarHBondContact O-CB 3.4Å; A143-Q147 PolarHBondContact O-N 3.36Å
144	I	97.4	Very high	93	Very high	21 Å²	21	77.5 Å²	77.5	11%	0.108	38%	0.382	C	S	.	.	H	α-helix	trans	-72	-40.3	174.5	-65.5	-59.7	0	0	0	111.5	F53 K75 F77 R140 V141 S142 Q147 S148	F53-I144 HydrophobicContact CE1-CG2 3.96Å; K75-I144 HydrophobicContact CB-CD1 4.15Å; K75-I144 WeakPolarHBondContact O-CG2 3.37Å; F77-I144 HydrophobicContact CB-CD1 4.49Å; F77-I144 HydrophobicContact CB-CG1 3.77Å; R140-I144 WeakPolarHBondContact O-CG1 3.27Å; R140-I144 PolarHBondContact O-N 3.5Å; V141-I144 CarbonylContact O-C 3.58Å; V141-I144 WeakPolarHBondContact O-CA 3.12Å; V141-I144 VanDerWaalsContact O-CB 3.31Å; V141-I144 WeakPolarHBondContact O-CB 3.42Å; V141-I144 PolarHBondContact O-N 2.9Å; S142-I144 VanDerWaalsContact C-N 3.26Å; S142-I144 PolarHBondContact O-N 3.17Å; I144-Q147 PolarHBondContact O-N 3.11Å; I144-S148 PolarHBondContact O-N 2.57Å
145	V	97.9	Very high	92.9	Very high	10 Å²	10	75.2 Å²	75.2	6%	0.061	38%	0.375	C	S	.	.	H	α-helix	trans	-56.7	-52.7	172.9	167	0	0	0	0	110.2	E49 F53 V141 S142 Q147 S148 W149	E49-V145 WeakPolarHBondContact O-CG1 3.38Å; F53-V145 HydrophobicContact CZ-CG2 4.07Å; V141-V145 HydrophobicContact CG1-CG2 4.44Å; V141-V145 PolarHBondContact O-N 3.47Å; S142-V145 WeakPolarHBondContact O-CB 3.43Å; S142-V145 PolarHBondContact O-N 2.91Å; V145-Q147 VanDerWaalsContact C-N 3.28Å; V145-Q147 PolarHBondContact O-N 3.06Å; V145-S148 WeakPolarHBondContact O-CB 2.85Å; V145-S148 PolarHBondContact O-N 3.09Å; V145-S148 VanDerWaalsContact O-N 3.07Å; V145-S148 PolarHBondContact O-OG 3.08Å; V145-W149 HydrophobicContact CG1-CH2 4.44Å; V145-W149 HydrophobicContact CG1-CZ2 3.67Å
146	E	96.9	Very high	92.6	Very high	113 Å²	113	67.6 Å²	67.6	53%	0.528	35%	0.352	S	S	.	.	H	α-helix	trans	-59.7	-38.7	177.8	-71.3	176.5	-170.9	0	0	112.4	S142 S148 W149 N150	S142-E146 WeakPolarHBondContact O-CG 3.35Å; S142-E146 PolarHBondContact O-N 3.31Å; E146-S148 VanDerWaalsContact C-N 3.31Å; E146-S148 PolarHBondContact O-N 2.94Å; E146-W149 HydrophobicContact CB-CE3 4.44Å; E146-W149 HydrophobicContact CB-CZ3 4.39Å; E146-W149 HydrophobicContact CG-CE3 4.49Å; E146-W149 HydrophobicContact CG-CH2 4.29Å; E146-W149 HydrophobicContact CG-CZ3 3.95Å; E146-W149 PolarHBondContact O-N 2.79Å; E146-N150 PolarHBondContact O-ND2 3.28Å
147	Q	96.3	Very high	92.2	Very high	54 Å²	54	68.5 Å²	68.5	25%	0.252	36%	0.358	S	S	.	.	H	α-helix	trans	-65.1	-37.6	177.4	-163.2	-168.2	-32.8	0	0	111.6	A143 I144 V145 W149 N150 D151	A143-Q147 WeakPolarHBondContact O-CB 3.4Å; A143-Q147 PolarHBondContact O-N 3.36Å; I144-Q147 PolarHBondContact O-N 3.11Å; V145-Q147 VanDerWaalsContact C-N 3.28Å; V145-Q147 PolarHBondContact O-N 3.06Å; Q147-W149 PolarHBondContact O-N 3.49Å; Q147-W149 VanDerWaalsContact O-N 3.12Å; Q147-N150 PolarHBondContact O-N 3.12Å; Q147-D151 PolarHBondContact O-N 2.78Å
148	S	96.3	Very high	91.8	Very high	6 Å²	6	73 Å²	73	4%	0.042	38%	0.382	C	S	.	.	H	α-helix	trans	-59.6	-26.2	-177.8	81.3	0	0	0	0	113.5	T52 I144 V145 E146 N150	T52-S148 PolarHBondContact N-OG 3.23Å; T52-S148 WeakPolarHBondContact O-CB 3.49Å; I144-S148 PolarHBondContact O-N 2.57Å; V145-S148 WeakPolarHBondContact O-CB 2.85Å; V145-S148 PolarHBondContact O-N 3.09Å; V145-S148 VanDerWaalsContact O-N 3.07Å; V145-S148 PolarHBondContact O-OG 3.08Å; E146-S148 VanDerWaalsContact C-N 3.31Å; E146-S148 PolarHBondContact O-N 2.94Å; S148-N150 VanDerWaalsContact C-N 3.33Å
149	W	93.9	Very high	91.3	Very high	145 Å²	145	73.1 Å²	73.1	55%	0.549	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-24.1	177.1	-54	-26.3	0	0	0	113.6	D50 V145 E146 Q147	D50-W149 HydrophobicContact CB-CZ2 4.25Å; D50-W149 PolarHBondContact O-NE1 2.76Å; V145-W149 HydrophobicContact CG1-CH2 4.44Å; V145-W149 HydrophobicContact CG1-CZ2 3.67Å; E146-W149 HydrophobicContact CB-CE3 4.44Å; E146-W149 HydrophobicContact CB-CZ3 4.39Å; E146-W149 HydrophobicContact CG-CE3 4.49Å; E146-W149 HydrophobicContact CG-CH2 4.29Å; E146-W149 HydrophobicContact CG-CZ3 3.95Å; E146-W149 PolarHBondContact O-N 2.79Å; Q147-W149 PolarHBondContact O-N 3.49Å; Q147-W149 VanDerWaalsContact O-N 3.12Å
150	N	88.4	Confident	90.8	Very high	123 Å²	123	67.8 Å²	67.8	66%	0.658	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-16.4	-175.1	-65.4	-64.9	0	0	0	112.9	E146 Q147 S148 S152	E146-N150 PolarHBondContact O-ND2 3.28Å; Q147-N150 PolarHBondContact O-N 3.12Å; S148-N150 VanDerWaalsContact C-N 3.33Å; N150-S152 VanDerWaalsContact C-N 3.27Å; N150-S152 PolarHBondContact O-N 3.32Å
151	D	71.5	Confident	90.2	Very high	56 Å²	56	66.7 Å²	66.7	30%	0.299	37%	0.372	S	S	.	.			trans	-72	83.8	175.6	-69.1	-17.5	0	0	0	108.3	K54 Q147	K54-D151 WeakPolarHBondContact CE-O 3.15Å; K54-D151 PolarHBondContact NZ-O 2.86Å; Q147-D151 PolarHBondContact O-N 2.78Å
152	S	50.5	Low	89.5	Confident	163 Å²	163	72.7 Å²	72.7	100%	1.14	41%	0.406	S	S	*	.			trans	-83.2	0	175.8	-60.4	0	0	0	0	111.6	K54 N150	K54-S152 PolarHBondContact NZ-OXT 2.92Å; N150-S152 VanDerWaalsContact C-N 3.27Å; N150-S152 PolarHBondContact O-N 3.32Å

Retrieved 152 of 152 residues in 33 ms (Link to these results)

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