A0A5K4F7F2_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A5K4F7F2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 93 aa.

						>A0A5K4F7F2_SCHMA|A0A5K4F7F2
MTTLNRAIVKTSNLPPQMQDDAVKQCLKAMLTCRHDKDIAAYLRNQFNQKYGRTWHCIVGGSFGSNVSHVETGLIYFLLGRKSVLLFRSENIH
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.6	Very low	74.4	Confident	240 Å²	240	113.8 Å²	113.8	100%	1.182	59%	0.586	S	S	*	*				0	103.7	0	-63.6	177.3	-163.8	0	0	107.3	T3	M1-T3 PolarHBondContact O-N 2.92Å
2	T	42.8	Very low	76.3	Confident	135 Å²	135	107.1 Å²	107.1	83%	0.828	56%	0.556	S	S	*	*			trans	-67.1	115	179.5	30	0	0	0	0	109.2	L4	T2-L4 PolarHBondContact O-N 3.26Å
3	T	50.7	Low	77.8	Confident	111 Å²	111	104.7 Å²	104.7	68%	0.681	55%	0.545	S	S	*	.			trans	-55.9	103.1	176.7	-18	0	0	0	0	108.5	M1 N5	M1-T3 PolarHBondContact O-N 2.92Å; T3-N5 WeakPolarHBondContact CB-OD1 3.38Å; T3-N5 WeakPolarHBondContact CG2-OD1 3.4Å; T3-N5 PolarHBondContact O-N 2.94Å
4	L	59.8	Low	79.2	Confident	68 Å²	68	97.7 Å²	97.7	36%	0.356	51%	0.509	S	S	.	.			trans	-68.8	82	162.7	-102.8	146.5	0	0	0	105.7	T2 L27 M30 L31 L79	T2-L4 PolarHBondContact O-N 3.26Å; L4-L27 HydrophobicContact CB-CD1 4.12Å; L4-L27 HydrophobicContact CD1-CD1 3.66Å; L4-L27 HydrophobicContact CD2-CD1 3.67Å; L4-L27 HydrophobicContact CG-CD1 4Å; L4-M30 HydrophobicContact CD2-CE 4Å; L4-M30 HydrophobicContact CD2-SD 4.11Å; L4-L31 HydrophobicContact CD1-CD2 4.34Å; L4-L79 HydrophobicContact CD2-CD1 3.75Å; L4-L79 HydrophobicContact CD2-CD2 4.09Å; L4-L79 HydrophobicContact CD2-CG 3.6Å
5	N	67	Low	80.4	Confident	103 Å²	103	95.3 Å²	95.3	55%	0.551	50%	0.501	S	S	*	.			trans	-57.3	147.2	178.5	-83.9	-8.6	0	0	0	109.5	T3 A7 L79	T3-N5 WeakPolarHBondContact CB-OD1 3.38Å; T3-N5 WeakPolarHBondContact CG2-OD1 3.4Å; T3-N5 PolarHBondContact O-N 2.94Å; N5-A7 PolarHBondContact O-N 3.16Å; N5-L79 WeakPolarHBondContact O-CD1 3.36Å
6	R	84.4	Confident	81.3	Confident	230 Å²	230	95.4 Å²	95.4	87%	0.868	51%	0.51	S	S	*	.			trans	-36.5	130.8	172.2	-178.2	178	178.9	156	0.6	110.8	I8	R6-I8 PolarHBondContact O-N 3.49Å
7	A	94.1	Very high	82.2	Confident	22 Å²	22	99.5 Å²	99.5	18%	0.182	53%	0.525	C	S	.	.			trans	-58.9	137.8	176.5	0	0	0	0	0	110.7	N5 V23 F77 L78 L79	N5-A7 PolarHBondContact O-N 3.16Å; A7-V23 HydrophobicContact CB-CB 4.22Å; A7-V23 HydrophobicContact CB-CG1 3.47Å; A7-V23 VanDerWaalsContact CB-CG1 3.47Å; A7-V23 HydrophobicContact CB-CG2 3.63Å; A7-F77 HydrophobicContact CB-CD2 4.28Å; A7-L78 CarbonylContact C-O 3.53Å; A7-L78 VanDerWaalsContact CA-O 3.27Å; A7-L78 WeakPolarHBondContact CA-O 3.18Å; A7-L79 HydrophobicContact CB-CD1 4.19Å
8	I	95.6	Very high	83.1	Confident	94 Å²	94	96.8 Å²	96.8	48%	0.482	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	100.7	175.4	-54.9	175.3	0	0	0	107.3	R6 K10 F77 L78	R6-I8 PolarHBondContact O-N 3.49Å; I8-K10 HydrophobicContact CG2-CD 4.3Å; I8-K10 PolarHBondContact O-N 2.79Å; I8-F77 CarbonylContact O-C 3.33Å; I8-F77 VanDerWaalsContact O-CA 3.25Å; I8-F77 WeakPolarHBondContact O-CA 3.37Å; I8-F77 WeakPolarHBondContact O-CB 3.48Å; I8-L78 HydrophobicContact CB-CB 4.31Å; I8-L78 PolarHBondContact N-O 2.89Å; I8-L78 PolarHBondContact O-N 3.38Å
9	V	96.7	Very high	83.9	Confident	59 Å²	59	94.1 Å²	94.1	36%	0.358	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	122.3	172.5	-177.2	0	0	0	0	108.3	I75 F77	V9-I75 HydrophobicContact CG1-CD1 4.47Å; V9-I75 HydrophobicContact CG1-CG1 4.27Å; V9-I75 HydrophobicContact CG2-CD1 4.4Å; V9-F77 HydrophobicContact CB-CB 4.49Å; V9-F77 HydrophobicContact CG2-CB 4.21Å
10	K	96.2	Very high	84.5	Confident	116 Å²	116	95.2 Å²	95.2	50%	0.504	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-43.2	179.8	-67.9	-65.1	-175.2	178.3	0	111.2	I8 Y76 L78	I8-K10 HydrophobicContact CG2-CD 4.3Å; I8-K10 PolarHBondContact O-N 2.79Å; K10-Y76 HydrophobicContact CB-CD1 3.41Å; K10-Y76 VanDerWaalsContact CB-CD1 3.41Å; K10-Y76 HydrophobicContact CB-CE1 3.68Å; K10-Y76 HydrophobicContact CB-CG 4.25Å; K10-Y76 HydrophobicContact CG-CD1 4.03Å; K10-Y76 HydrophobicContact CG-CE1 3.81Å; K10-Y76 PolarHBondContact N-O 3.21Å; K10-L78 VanDerWaalsContact CE-CD1 3.41Å; K10-L78 HydrophobicContact CG-CG 4.28Å
11	T	96.4	Very high	85.2	Confident	74 Å²	74	91.6 Å²	91.6	45%	0.454	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	141.5	177.1	-64	0	0	0	0	108.6	L74 Y76	T11-L74 HydrophobicContact CG2-CD2 3.89Å; T11-Y76 PolarHBondContact N-O 2.83Å; T11-Y76 PolarHBondContact O-N 3.07Å
12	S	97.4	Very high	88.2	Confident	33 Å²	33	80.1 Å²	80.1	23%	0.231	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	141	175	-176.1	0	0	0	0	111.1	L14 Q19 L74	S12-L14 PolarHBondContact OG-N 2.78Å; S12-Q19 VanDerWaalsContact OG-CD 3.22Å; S12-Q19 WeakPolarHBondContact OG-CG 2.99Å; S12-Q19 PolarHBondContact OG-NE2 3.49Å; S12-L74 CarbonylContact C-O 3.57Å; S12-L74 VanDerWaalsContact CA-O 3.31Å; S12-L74 WeakPolarHBondContact CA-O 3.38Å
13	N	96.1	Very high	90.8	Very high	76 Å²	76	75.2 Å²	75.2	41%	0.406	40%	0.395	S	S	.	.			trans	-117.9	8.6	169	-53.3	58.4	0	0	0	110.8	E71 L74	N13-E71 WeakPolarHBondContact CB-O 3.42Å; N13-L74 PolarHBondContact N-O 3.05Å
14	L	97	Very high	93	Very high	7 Å²	7	76.9 Å²	76.9	4%	0.037	39%	0.393	C	S	.	.	S	Bend	trans	-79.9	148.7	174.7	-57.6	-173.3	0	0	0	111.3	S12 M18 Q19 F47 W55 T72 I75	S12-L14 PolarHBondContact OG-N 2.78Å; L14-M18 HydrophobicContact CB-CB 3.98Å; L14-M18 HydrophobicContact CD1-CB 4.22Å; L14-Q19 HydrophobicContact CB-CG 3.98Å; L14-Q19 PolarHBondContact O-NE2 3.46Å; L14-F47 HydrophobicContact CD1-CE1 4.31Å; L14-W55 HydrophobicContact CD1-CH2 4.3Å; L14-W55 HydrophobicContact CD1-CZ3 4.44Å; L14-W55 HydrophobicContact CD2-CH2 3.73Å; L14-W55 HydrophobicContact CD2-CZ3 4.28Å; L14-T72 VanDerWaalsContact CD2-O 3.3Å; L14-T72 WeakPolarHBondContact CD2-O 3.49Å; L14-I75 HydrophobicContact CD1-CB 3.79Å; L14-I75 HydrophobicContact CD1-CG2 3.64Å; L14-I75 HydrophobicContact CG-CB 4.21Å
15	P	96.5	Very high	94.9	Very high	62 Å²	62	75 Å²	75	40%	0.403	38%	0.382	S	S	.	.			trans	-55.7	148.9	166.9	-23.5	33.2	0	0	0	111.9	Q17 M18 Q19	P15-Q17 PolarHBondContact O-N 2.89Å; P15-Q17 VanDerWaalsContact O-N 3.11Å; P15-M18 HydrophobicContact CG-SD 4.44Å; P15-M18 WeakPolarHBondContact O-CA 3.4Å; P15-M18 WeakPolarHBondContact O-CB 3.33Å; P15-M18 PolarHBondContact O-N 2.69Å; P15-Q19 PolarHBondContact O-N 2.92Å; P15-Q19 VanDerWaalsContact O-N 3.12Å
16	P	95.6	Very high	96.3	Very high	97 Å²	97	70.1 Å²	70.1	63%	0.63	36%	0.356	S	S	*	.	H	α-helix	trans	-50.6	-42.2	-176.2	-29.5	35.3	0	0	0	114	M18 Q19 D20	P16-M18 VanDerWaalsContact C-N 3.29Å; P16-M18 PolarHBondContact O-N 3.29Å; P16-Q19 WeakPolarHBondContact O-CB 3.4Å; P16-Q19 PolarHBondContact O-N 3.21Å; P16-D20 PolarHBondContact O-N 3Å
17	Q	96.7	Very high	96.9	Very high	165 Å²	165	62.3 Å²	62.3	77%	0.771	33%	0.331	S	S	*	.	H	α-helix	trans	-63.1	-33	179.2	-165.4	175.9	18.5	0	0	113.3	P15 D21	P15-Q17 PolarHBondContact O-N 2.89Å; P15-Q17 VanDerWaalsContact O-N 3.11Å; Q17-D21 PolarHBondContact O-N 3.29Å
18	M	97.7	Very high	97	Very high	50 Å²	50	66.8 Å²	66.8	25%	0.246	35%	0.346	C	S	.	.	H	α-helix	trans	-76.6	-31.1	174.4	-70.6	-167.7	-176.9	0	0	111.8	L14 P15 P16 D21 A22 Y51	L14-M18 HydrophobicContact CB-CB 3.98Å; L14-M18 HydrophobicContact CD1-CB 4.22Å; P15-M18 HydrophobicContact CG-SD 4.44Å; P15-M18 WeakPolarHBondContact O-CA 3.4Å; P15-M18 WeakPolarHBondContact O-CB 3.33Å; P15-M18 PolarHBondContact O-N 2.69Å; P16-M18 VanDerWaalsContact C-N 3.29Å; P16-M18 PolarHBondContact O-N 3.29Å; M18-D21 PolarHBondContact O-N 3.31Å; M18-A22 WeakPolarHBondContact O-CB 3.37Å; M18-A22 PolarHBondContact O-N 3.31Å; M18-Y51 HydrophobicContact CE-CD1 3.39Å; M18-Y51 HydrophobicContact CE-CE1 3.52Å; M18-Y51 HydrophobicContact CE-CG 4.16Å; M18-Y51 HydrophobicContact CG-CD1 4.5Å; M18-Y51 HydrophobicContact CG-CE1 3.89Å; M18-Y51 HydrophobicContact CG-CE2 4.47Å; M18-Y51 HydrophobicContact SD-CD1 4.11Å; M18-Y51 HydrophobicContact SD-CE1 4.09Å; M18-Y51 HydrophobicContact SD-CG 4.43Å
19	Q	98.2	Very high	97.1	Very high	45 Å²	45	62.3 Å²	62.3	21%	0.21	32%	0.323	C	S	.	.	H	α-helix	trans	-64.1	-46.6	173.3	-56.7	-176.3	24.8	0	0	110.9	S12 L14 P15 P16 D21 A22 V23 I75	S12-Q19 VanDerWaalsContact OG-CD 3.22Å; S12-Q19 WeakPolarHBondContact OG-CG 2.99Å; S12-Q19 PolarHBondContact OG-NE2 3.49Å; L14-Q19 HydrophobicContact CB-CG 3.98Å; L14-Q19 PolarHBondContact O-NE2 3.46Å; P15-Q19 PolarHBondContact O-N 2.92Å; P15-Q19 VanDerWaalsContact O-N 3.12Å; P16-Q19 WeakPolarHBondContact O-CB 3.4Å; P16-Q19 PolarHBondContact O-N 3.21Å; Q19-D21 VanDerWaalsContact C-N 3.32Å; Q19-D21 PolarHBondContact O-N 3Å; Q19-A22 WeakPolarHBondContact O-CB 3.35Å; Q19-A22 PolarHBondContact O-N 3.44Å; Q19-V23 WeakPolarHBondContact O-CG2 3.23Å; Q19-V23 PolarHBondContact O-N 3.18Å; Q19-I75 HydrophobicContact CB-CD1 3.87Å; Q19-I75 HydrophobicContact CG-CD1 4Å
20	D	97.1	Very high	97	Very high	116 Å²	116	61.8 Å²	61.8	62%	0.62	32%	0.318	S	S	*	.	H	α-helix	trans	-61	-41.7	176.8	-71.7	-24.5	0	0	0	111.7	P16 V23 K24	P16-D20 PolarHBondContact O-N 3Å; D20-V23 PolarHBondContact O-N 3.28Å; D20-K24 VanDerWaalsContact O-CB 3.26Å; D20-K24 WeakPolarHBondContact O-CB 3.17Å; D20-K24 PolarHBondContact O-N 3.14Å
21	D	98.1	Very high	97	Very high	20 Å²	20	62.4 Å²	62.4	11%	0.107	33%	0.326	C	S	.	.	H	α-helix	trans	-66.4	-41.3	176.2	-164.7	37.7	0	0	0	111.9	Q17 M18 Q19 V23 K24 Q25 K50 Y51	Q17-D21 PolarHBondContact O-N 3.29Å; M18-D21 PolarHBondContact O-N 3.31Å; Q19-D21 VanDerWaalsContact C-N 3.32Å; Q19-D21 PolarHBondContact O-N 3Å; D21-V23 VanDerWaalsContact C-N 3.33Å; D21-V23 PolarHBondContact O-N 3.19Å; D21-K24 PolarHBondContact O-N 3.33Å; D21-Q25 WeakPolarHBondContact O-CB 3.46Å; D21-Q25 VanDerWaalsContact O-CG 3.3Å; D21-Q25 WeakPolarHBondContact O-CG 3.41Å; D21-Q25 PolarHBondContact O-N 2.92Å; D21-Q25 PolarHBondContact OD1-NE2 2.86Å; D21-K50 VanDerWaalsContact CG-NZ 3.29Å; D21-K50 IonicContact OD1-NZ 3.64Å; D21-K50 WeakPolarHBondContact OD2-CD 3.5Å; D21-K50 IonicContact OD2-NZ 2.66Å; D21-K50 PolarHBondContact OD2-NZ 3.45Å; D21-Y51 PolarHBondContact OD2-OH 3.16Å; D21-Y51 VanDerWaalsContact OD2-OH 3.06Å
22	A	98.4	Very high	97	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-57.3	-47.2	175.8	0	0	0	0	0	111.3	M18 Q19 C26 F47 I75 F77 L86	M18-A22 WeakPolarHBondContact O-CB 3.37Å; M18-A22 PolarHBondContact O-N 3.31Å; Q19-A22 WeakPolarHBondContact O-CB 3.35Å; Q19-A22 PolarHBondContact O-N 3.44Å; A22-C26 VanDerWaalsContact O-CB 3.28Å; A22-C26 WeakPolarHBondContact O-CB 3.41Å; A22-C26 PolarHBondContact O-N 2.98Å; A22-F47 HydrophobicContact CB-CE1 4.38Å; A22-F47 HydrophobicContact CB-CE2 4.17Å; A22-F47 HydrophobicContact CB-CZ 3.59Å; A22-I75 HydrophobicContact CB-CD1 4.19Å; A22-I75 HydrophobicContact CB-CG2 4.1Å; A22-F77 HydrophobicContact CB-CE1 4.28Å; A22-L86 HydrophobicContact CB-CD2 4.12Å
23	V	97.7	Very high	97	Very high	31 Å²	31	63.5 Å²	63.5	19%	0.188	33%	0.332	C	S	.	.	H	α-helix	trans	-64.6	-45.1	177.6	171.2	0	0	0	0	111.2	A7 Q19 D20 D21 C26 L27 F77	A7-V23 HydrophobicContact CB-CB 4.22Å; A7-V23 HydrophobicContact CB-CG1 3.47Å; A7-V23 VanDerWaalsContact CB-CG1 3.47Å; A7-V23 HydrophobicContact CB-CG2 3.63Å; Q19-V23 WeakPolarHBondContact O-CG2 3.23Å; Q19-V23 PolarHBondContact O-N 3.18Å; D20-V23 PolarHBondContact O-N 3.28Å; D21-V23 VanDerWaalsContact C-N 3.33Å; D21-V23 PolarHBondContact O-N 3.19Å; V23-C26 PolarHBondContact O-N 3.19Å; V23-L27 WeakPolarHBondContact O-CB 3.38Å; V23-L27 PolarHBondContact O-N 3.21Å; V23-F77 HydrophobicContact CG2-CD2 4.11Å; V23-F77 HydrophobicContact CG2-CE2 4.14Å; V23-F77 HydrophobicContact CG2-CG 4.36Å; V23-F77 HydrophobicContact CG2-CZ 4.41Å
24	K	97.1	Very high	96.9	Very high	147 Å²	147	70.5 Å²	70.5	64%	0.639	35%	0.353	S	S	*	.	H	α-helix	trans	-63.9	-44.7	-179.8	-172.9	-179.9	-175.6	178.8	0	112.1	D20 D21 C26 L27 K28	D20-K24 VanDerWaalsContact O-CB 3.26Å; D20-K24 WeakPolarHBondContact O-CB 3.17Å; D20-K24 PolarHBondContact O-N 3.14Å; D21-K24 PolarHBondContact O-N 3.33Å; K24-C26 VanDerWaalsContact C-N 3.32Å; K24-L27 PolarHBondContact O-N 3.14Å; K24-K28 PolarHBondContact O-N 2.88Å
25	Q	98.3	Very high	96.9	Very high	28 Å²	28	74.6 Å²	74.6	13%	0.131	37%	0.371	C	S	.	.	H	α-helix	trans	-65.4	-37.4	175.9	-67.2	-49.5	-38.8	0	0	111.4	D21 K28 A29 Y42 L43 Q46	D21-Q25 WeakPolarHBondContact O-CB 3.46Å; D21-Q25 VanDerWaalsContact O-CG 3.3Å; D21-Q25 WeakPolarHBondContact O-CG 3.41Å; D21-Q25 PolarHBondContact O-N 2.92Å; D21-Q25 PolarHBondContact OD1-NE2 2.86Å; Q25-K28 PolarHBondContact O-N 2.78Å; Q25-A29 WeakPolarHBondContact O-CB 3.47Å; Q25-A29 PolarHBondContact O-N 3.11Å; Q25-Y42 HydrophobicContact CB-CE1 4.15Å; Q25-Y42 PolarHBondContact OE1-OH 2.98Å; Q25-L43 HydrophobicContact CB-CD2 3.66Å; Q25-Q46 HydrophobicContact CG-CB 4.47Å
26	C	97.8	Very high	97	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-65.8	-43.5	176.5	-173.5	0	0	0	0	111.6	A22 V23 K24 K28 A29 M30 L43 F77 L79	A22-C26 VanDerWaalsContact O-CB 3.28Å; A22-C26 WeakPolarHBondContact O-CB 3.41Å; A22-C26 PolarHBondContact O-N 2.98Å; V23-C26 PolarHBondContact O-N 3.19Å; K24-C26 VanDerWaalsContact C-N 3.32Å; C26-K28 VanDerWaalsContact C-N 3.32Å; C26-K28 PolarHBondContact O-N 2.89Å; C26-A29 PolarHBondContact O-N 3.28Å; C26-M30 WeakPolarHBondContact O-CB 3.43Å; C26-M30 VanDerWaalsContact O-CG 3.32Å; C26-M30 WeakPolarHBondContact O-CG 3.28Å; C26-M30 PolarHBondContact O-N 3.45Å; C26-L43 HydrophobicContact CB-CD1 3.93Å; C26-L43 HydrophobicContact CB-CD2 4.1Å; C26-L43 HydrophobicContact CB-CG 4.46Å; C26-F77 HydrophobicContact CB-CE2 3.94Å; C26-F77 HydrophobicContact CB-CZ 3.67Å; C26-L79 HydrophobicContact CB-CD2 4.12Å
27	L	96	Very high	97.1	Very high	66 Å²	66	76.4 Å²	76.4	35%	0.346	37%	0.365	S	S	.	.	H	α-helix	trans	-57.8	-47.3	175.1	178.6	66.1	0	0	0	110.8	L4 V23 K24 A29 M30 L31 L79	L4-L27 HydrophobicContact CB-CD1 4.12Å; L4-L27 HydrophobicContact CD1-CD1 3.66Å; L4-L27 HydrophobicContact CD2-CD1 3.67Å; L4-L27 HydrophobicContact CG-CD1 4Å; V23-L27 WeakPolarHBondContact O-CB 3.38Å; V23-L27 PolarHBondContact O-N 3.21Å; K24-L27 PolarHBondContact O-N 3.14Å; L27-A29 PolarHBondContact O-N 2.81Å; L27-M30 PolarHBondContact O-N 3.43Å; L27-L31 WeakPolarHBondContact O-CG 3.32Å; L27-L31 PolarHBondContact O-N 3.25Å; L27-L79 HydrophobicContact CB-CD2 4.18Å
28	K	96.3	Very high	97.2	Very high	116 Å²	116	71.4 Å²	71.4	50%	0.504	34%	0.344	S	S	.	.	H	α-helix	trans	-59.7	-46.6	176.7	-174.9	174.4	172.4	-167.8	0	111.5	K24 Q25 C26 M30 L31 T32 Y42	K24-K28 PolarHBondContact O-N 2.88Å; Q25-K28 PolarHBondContact O-N 2.78Å; C26-K28 VanDerWaalsContact C-N 3.32Å; C26-K28 PolarHBondContact O-N 2.89Å; K28-M30 VanDerWaalsContact C-N 3.35Å; K28-M30 PolarHBondContact O-N 3.47Å; K28-L31 PolarHBondContact O-N 2.9Å; K28-L31 VanDerWaalsContact O-N 3.14Å; K28-T32 PolarHBondContact O-N 3.48Å; K28-T32 PolarHBondContact O-OG1 3.45Å; K28-Y42 WeakPolarHBondContact CD-OH 3.42Å
29	A	97.5	Very high	97.2	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.2	-41.7	178	0	0	0	0	0	112.3	Q25 C26 L27 L31 T32 C33 I39 Y42	Q25-A29 WeakPolarHBondContact O-CB 3.47Å; Q25-A29 PolarHBondContact O-N 3.11Å; C26-A29 PolarHBondContact O-N 3.28Å; L27-A29 PolarHBondContact O-N 2.81Å; A29-L31 PolarHBondContact O-N 2.92Å; A29-T32 PolarHBondContact O-N 2.82Å; A29-T32 PolarHBondContact O-OG1 2.96Å; A29-C33 WeakPolarHBondContact O-CA 3.03Å; A29-C33 WeakPolarHBondContact O-CB 3.41Å; A29-C33 PolarHBondContact O-N 3.38Å; A29-I39 HydrophobicContact CB-CB 4.37Å; A29-I39 HydrophobicContact CB-CG1 4.37Å; A29-I39 HydrophobicContact CB-CG2 3.88Å; A29-Y42 HydrophobicContact CB-CD1 3.56Å; A29-Y42 HydrophobicContact CB-CE1 4.13Å; A29-Y42 HydrophobicContact CB-CG 3.93Å
30	M	95.7	Very high	97.2	Very high	49 Å²	49	67.8 Å²	67.8	24%	0.241	33%	0.328	C	S	.	.	H	α-helix	trans	-65.1	-23.4	177	-72.9	-179.7	72.4	0	0	113.4	L4 C26 L27 K28 I39 L79 K82	L4-M30 HydrophobicContact CD2-CE 4Å; L4-M30 HydrophobicContact CD2-SD 4.11Å; C26-M30 WeakPolarHBondContact O-CB 3.43Å; C26-M30 VanDerWaalsContact O-CG 3.32Å; C26-M30 WeakPolarHBondContact O-CG 3.28Å; C26-M30 PolarHBondContact O-N 3.45Å; L27-M30 PolarHBondContact O-N 3.43Å; K28-M30 VanDerWaalsContact C-N 3.35Å; K28-M30 PolarHBondContact O-N 3.47Å; M30-I39 HydrophobicContact CG-CD1 3.93Å; M30-L79 HydrophobicContact SD-CB 4.22Å; M30-L79 HydrophobicContact SD-CD2 3.66Å; M30-L79 HydrophobicContact SD-CG 3.81Å; M30-K82 HydrophobicContact CE-CB 4.39Å; M30-K82 HydrophobicContact CE-CG 3.84Å
31	L	95.2	Very high	97.3	Very high	129 Å²	129	64.1 Å²	64.1	68%	0.675	32%	0.315	S	S	*	.	H	α-helix	trans	-83.4	-26	175.5	-67.4	171.2	0	0	0	112.8	L4 L27 K28 A29	L4-L31 HydrophobicContact CD1-CD2 4.34Å; L27-L31 WeakPolarHBondContact O-CG 3.32Å; L27-L31 PolarHBondContact O-N 3.25Å; K28-L31 PolarHBondContact O-N 2.9Å; K28-L31 VanDerWaalsContact O-N 3.14Å; A29-L31 PolarHBondContact O-N 2.92Å
32	T	96.2	Very high	97.3	Very high	96 Å²	96	65.2 Å²	65.2	59%	0.589	32%	0.317	S	S	*	.	H	α-helix	trans	-108.2	-24.5	-173.7	58	0	0	0	0	114.3	K28 A29	K28-T32 PolarHBondContact O-N 3.48Å; K28-T32 PolarHBondContact O-OG1 3.45Å; A29-T32 PolarHBondContact O-N 2.82Å; A29-T32 PolarHBondContact O-OG1 2.96Å
33	C	97	Very high	97.3	Very high	34 Å²	34	65.2 Å²	65.2	23%	0.23	32%	0.317	C	S	.	.			trans	-107	142.5	-174.5	-61.5	0	0	0	0	110.7	A29 D38 I39	A29-C33 WeakPolarHBondContact O-CA 3.03Å; A29-C33 WeakPolarHBondContact O-CB 3.41Å; A29-C33 PolarHBondContact O-N 3.38Å; C33-D38 HydrophobicContact CB-CB 3.88Å; C33-I39 HydrophobicContact CB-CG1 3.72Å
34	R	94.2	Very high	97.4	Very high	223 Å²	223	68.9 Å²	68.9	84%	0.842	33%	0.328	S	S	*	.	S	Bend	trans	-89.9	-38	-178.6	-174.9	177.2	176.8	-175.7	-1.9	113.2
35	H	97.3	Very high	97.5	Very high	92 Å²	92	65.6 Å²	65.6	43%	0.426	32%	0.317	S	S	.	.	S	Bend	trans	-110.6	151.1	-173.7	-46.4	98.2	0	0	0	112.1	K37 D38 I39	H35-K37 VanDerWaalsContact C-N 3.25Å; H35-K37 HydrophobicContact CB-CG 3.97Å; H35-K37 PolarHBondContact O-N 3.32Å; H35-D38 WeakPolarHBondContact CB-OD2 3.25Å; H35-D38 IonicContact CG-OD2 3.53Å; H35-D38 PolarHBondContact N-OD2 3.43Å; H35-D38 IonicContact ND1-OD2 2.92Å; H35-D38 PolarHBondContact ND1-OD2 2.89Å; H35-D38 WeakPolarHBondContact O-CB 3.38Å; H35-D38 PolarHBondContact O-N 2.96Å; H35-I39 PolarHBondContact O-N 3.06Å; H35-I39 VanDerWaalsContact O-N 3.16Å
36	D	98	Very high	97.5	Very high	45 Å²	45	66.9 Å²	66.9	24%	0.241	32%	0.323	C	S	.	.	H	α-helix	trans	-58	-38.3	179.4	-69.9	-14.2	0	0	0	112.4	D38 I39 A40 V59 K82	D36-D38 PolarHBondContact O-N 3.41Å; D36-I39 PolarHBondContact O-N 3.28Å; D36-A40 WeakPolarHBondContact O-CB 3.49Å; D36-A40 PolarHBondContact O-N 2.97Å; D36-V59 HydrophobicContact CB-CB 4.11Å; D36-V59 HydrophobicContact CB-CG1 3.94Å; D36-K82 WeakPolarHBondContact OD1-CD 3.47Å; D36-K82 WeakPolarHBondContact OD1-CE 3.34Å; D36-K82 IonicContact OD1-NZ 2.78Å; D36-K82 PolarHBondContact OD1-NZ 3.43Å; D36-K82 IonicContact OD2-NZ 2.69Å; D36-K82 PolarHBondContact OD2-NZ 3.3Å
37	K	98.1	Very high	97.5	Very high	153 Å²	153	66.9 Å²	66.9	67%	0.665	32%	0.323	S	S	*	.	H	α-helix	trans	-60.1	-33.8	174.9	64.9	170.4	-171.5	168.9	0	113.1	H35 A41	H35-K37 VanDerWaalsContact C-N 3.25Å; H35-K37 HydrophobicContact CB-CG 3.97Å; H35-K37 PolarHBondContact O-N 3.32Å; K37-A41 WeakPolarHBondContact O-CB 3.26Å; K37-A41 PolarHBondContact O-N 3.5Å
38	D	98.5	Very high	97.5	Very high	60 Å²	60	64.8 Å²	64.8	32%	0.321	31%	0.312	S	S	.	.	H	α-helix	trans	-77	-38.9	-178.1	-55.5	-33.5	0	0	0	109.7	C33 H35 D36 A41 Y42	C33-D38 HydrophobicContact CB-CB 3.88Å; H35-D38 WeakPolarHBondContact CB-OD2 3.25Å; H35-D38 IonicContact CG-OD2 3.53Å; H35-D38 PolarHBondContact N-OD2 3.43Å; H35-D38 IonicContact ND1-OD2 2.92Å; H35-D38 PolarHBondContact ND1-OD2 2.89Å; H35-D38 WeakPolarHBondContact O-CB 3.38Å; H35-D38 PolarHBondContact O-N 2.96Å; D36-D38 PolarHBondContact O-N 3.41Å; D38-A41 PolarHBondContact O-N 2.89Å; D38-Y42 WeakPolarHBondContact O-CB 3.28Å; D38-Y42 PolarHBondContact O-N 3.48Å
39	I	98.4	Very high	97.6	Very high	6 Å²	6	66.9 Å²	66.9	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-62.1	-47.7	172.9	-62.4	165.7	0	0	0	110.4	A29 M30 C33 H35 D36 A41 Y42 L43 V59	A29-I39 HydrophobicContact CB-CB 4.37Å; A29-I39 HydrophobicContact CB-CG1 4.37Å; A29-I39 HydrophobicContact CB-CG2 3.88Å; M30-I39 HydrophobicContact CG-CD1 3.93Å; C33-I39 HydrophobicContact CB-CG1 3.72Å; H35-I39 PolarHBondContact O-N 3.06Å; H35-I39 VanDerWaalsContact O-N 3.16Å; D36-I39 PolarHBondContact O-N 3.28Å; I39-A41 PolarHBondContact O-N 2.99Å; I39-Y42 PolarHBondContact O-N 2.95Å; I39-L43 HydrophobicContact CG2-CD1 4.28Å; I39-L43 PolarHBondContact O-N 3.37Å; I39-V59 HydrophobicContact CB-CG2 4.38Å; I39-V59 HydrophobicContact CG2-CG1 4.4Å; I39-V59 HydrophobicContact CG2-CG2 3.96Å
40	A	98.8	Very high	97.6	Very high	12 Å²	12	72.5 Å²	72.5	10%	0.099	35%	0.348	C	S	.	.	H	α-helix	trans	-60	-46.8	178.2	0	0	0	0	0	111.5	D36 Y42 L43 R44 C57 V59	D36-A40 WeakPolarHBondContact O-CB 3.49Å; D36-A40 PolarHBondContact O-N 2.97Å; A40-Y42 PolarHBondContact O-N 3.23Å; A40-L43 PolarHBondContact O-N 2.91Å; A40-R44 VanDerWaalsContact O-CB 3.25Å; A40-R44 WeakPolarHBondContact O-CB 3.5Å; A40-R44 PolarHBondContact O-N 3.45Å; A40-C57 HydrophobicContact CB-CB 4.21Å; A40-C57 WeakPolarHBondContact O-CB 3.49Å; A40-V59 HydrophobicContact CB-CB 4.39Å; A40-V59 HydrophobicContact CB-CG2 3.87Å
41	A	98.7	Very high	97.7	Very high	40 Å²	40	72.3 Å²	72.3	33%	0.331	35%	0.345	S	S	.	.	H	α-helix	trans	-62.2	-41.2	177.1	0	0	0	0	0	112.3	K37 D38 I39 N45	K37-A41 WeakPolarHBondContact O-CB 3.26Å; K37-A41 PolarHBondContact O-N 3.5Å; D38-A41 PolarHBondContact O-N 2.89Å; I39-A41 PolarHBondContact O-N 2.99Å; A41-N45 WeakPolarHBondContact O-CB 3.36Å; A41-N45 PolarHBondContact O-N 2.89Å; A41-N45 PolarHBondContact O-ND2 2.77Å
42	Y	98.8	Very high	97.7	Very high	43 Å²	43	67.6 Å²	67.6	17%	0.169	33%	0.328	C	S	.	.	H	α-helix	trans	-59.3	-53.5	175.8	178	-83.2	0	0	0	111.4	Q25 K28 A29 D38 I39 A40 R44 N45 Q46	Q25-Y42 HydrophobicContact CB-CE1 4.15Å; Q25-Y42 PolarHBondContact OE1-OH 2.98Å; K28-Y42 WeakPolarHBondContact CD-OH 3.42Å; A29-Y42 HydrophobicContact CB-CD1 3.56Å; A29-Y42 HydrophobicContact CB-CE1 4.13Å; A29-Y42 HydrophobicContact CB-CG 3.93Å; D38-Y42 WeakPolarHBondContact O-CB 3.28Å; D38-Y42 PolarHBondContact O-N 3.48Å; I39-Y42 PolarHBondContact O-N 2.95Å; A40-Y42 PolarHBondContact O-N 3.23Å; Y42-R44 PolarHBondContact O-N 2.95Å; Y42-N45 PolarHBondContact O-N 3.37Å; Y42-Q46 HydrophobicContact CD1-CG 4.01Å; Y42-Q46 HydrophobicContact CE1-CG 3.57Å; Y42-Q46 HydrophobicContact CE2-CG 4.38Å; Y42-Q46 WeakPolarHBondContact O-CG 3.41Å; Y42-Q46 PolarHBondContact O-N 2.79Å
43	L	98.7	Very high	97.6	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-59.1	-47.9	-179.8	-83.6	170.4	0	0	0	111.7	Q25 C26 I39 A40 N45 Q46 F47 C57 V84 L86	Q25-L43 HydrophobicContact CB-CD2 3.66Å; C26-L43 HydrophobicContact CB-CD1 3.93Å; C26-L43 HydrophobicContact CB-CD2 4.1Å; C26-L43 HydrophobicContact CB-CG 4.46Å; I39-L43 HydrophobicContact CG2-CD1 4.28Å; I39-L43 PolarHBondContact O-N 3.37Å; A40-L43 PolarHBondContact O-N 2.91Å; L43-N45 VanDerWaalsContact C-N 3.31Å; L43-N45 PolarHBondContact O-N 3.26Å; L43-Q46 PolarHBondContact O-N 2.89Å; L43-F47 PolarHBondContact O-N 2.86Å; L43-C57 HydrophobicContact CB-CB 4.39Å; L43-V84 HydrophobicContact CD1-CG1 3.78Å; L43-L86 HydrophobicContact CB-CD1 4.5Å
44	R	98.5	Very high	97.6	Very high	107 Å²	107	72 Å²	72	40%	0.404	33%	0.334	S	S	.	.	H	α-helix	trans	-54.3	-48.1	176.4	-170.4	-157.2	65.3	168.5	-2.9	111.5	A40 Y42 F47 N48 W55 C57	A40-R44 VanDerWaalsContact O-CB 3.25Å; A40-R44 WeakPolarHBondContact O-CB 3.5Å; A40-R44 PolarHBondContact O-N 3.45Å; Y42-R44 PolarHBondContact O-N 2.95Å; R44-F47 PolarHBondContact O-N 2.88Å; R44-N48 VanDerWaalsContact O-CB 3.26Å; R44-N48 WeakPolarHBondContact O-CB 3.27Å; R44-N48 VanDerWaalsContact O-CG 3.24Å; R44-N48 PolarHBondContact O-N 2.9Å; R44-N48 PolarHBondContact O-ND2 3.24Å; R44-W55 WeakPolarHBondContact CG-O 3.38Å; R44-C57 HydrophobicContact CB-CB 4.27Å
45	N	98.6	Very high	97.7	Very high	78 Å²	78	61.6 Å²	61.6	42%	0.417	30%	0.295	S	S	.	.	H	α-helix	trans	-67.9	-42.6	-177.7	-70.5	-12.7	0	0	0	112	A41 Y42 L43 F47 N48 Q49	A41-N45 WeakPolarHBondContact O-CB 3.36Å; A41-N45 PolarHBondContact O-N 2.89Å; A41-N45 PolarHBondContact O-ND2 2.77Å; Y42-N45 PolarHBondContact O-N 3.37Å; L43-N45 VanDerWaalsContact C-N 3.31Å; L43-N45 PolarHBondContact O-N 3.26Å; N45-F47 PolarHBondContact O-N 2.96Å; N45-N48 PolarHBondContact O-N 3.07Å; N45-Q49 WeakPolarHBondContact O-CB 3.25Å; N45-Q49 PolarHBondContact O-N 2.76Å
46	Q	98.5	Very high	97.8	Very high	55 Å²	55	60.4 Å²	60.4	26%	0.257	29%	0.289	S	S	.	.	H	α-helix	trans	-58.7	-47.1	175.8	-74.1	-62.2	-36.6	0	0	111.4	Q25 Y42 L43 Q49 K50	Q25-Q46 HydrophobicContact CG-CB 4.47Å; Y42-Q46 HydrophobicContact CD1-CG 4.01Å; Y42-Q46 HydrophobicContact CE1-CG 3.57Å; Y42-Q46 HydrophobicContact CE2-CG 4.38Å; Y42-Q46 WeakPolarHBondContact O-CG 3.41Å; Y42-Q46 PolarHBondContact O-N 2.79Å; L43-Q46 PolarHBondContact O-N 2.89Å; Q46-Q49 PolarHBondContact O-N 2.67Å; Q46-K50 VanDerWaalsContact O-CB 3.32Å; Q46-K50 WeakPolarHBondContact O-CB 3.09Å; Q46-K50 PolarHBondContact O-N 3.49Å
47	F	98.3	Very high	97.8	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-71.7	-37.5	-179.1	-89.3	-116.3	0	0	0	112.7	L14 A22 L43 R44 N45 Q49 K50 Y51 W55 L86	L14-F47 HydrophobicContact CD1-CE1 4.31Å; A22-F47 HydrophobicContact CB-CE1 4.38Å; A22-F47 HydrophobicContact CB-CE2 4.17Å; A22-F47 HydrophobicContact CB-CZ 3.59Å; L43-F47 PolarHBondContact O-N 2.86Å; R44-F47 PolarHBondContact O-N 2.88Å; N45-F47 PolarHBondContact O-N 2.96Å; F47-Q49 VanDerWaalsContact C-N 3.29Å; F47-Q49 PolarHBondContact O-N 3.25Å; F47-K50 PolarHBondContact O-N 3.46Å; F47-Y51 HydrophobicContact CB-CD2 4.32Å; F47-Y51 AromaticContact CD1-CD2 3.48Å; F47-Y51 HydrophobicContact CD1-CD2 3.48Å; F47-Y51 VanDerWaalsContact CD1-CD2 3.48Å; F47-Y51 AromaticContact CD1-CE2 3.92Å; F47-Y51 HydrophobicContact CD1-CE2 3.92Å; F47-Y51 HydrophobicContact CD2-CD2 4.4Å; F47-Y51 HydrophobicContact CD2-CE2 4.42Å; F47-Y51 AromaticContact CE1-CD2 3.71Å; F47-Y51 HydrophobicContact CE1-CD2 3.71Å; F47-Y51 AromaticContact CE1-CE2 3.68Å; F47-Y51 HydrophobicContact CE1-CE2 3.68Å; F47-Y51 HydrophobicContact CE2-CE2 4.19Å; F47-Y51 AromaticContact CG-CD2 3.85Å; F47-Y51 HydrophobicContact CG-CD2 3.85Å; F47-Y51 HydrophobicContact CG-CE2 4.27Å; F47-Y51 HydrophobicContact CZ-CD2 4.24Å; F47-Y51 AromaticContact CZ-CE2 3.8Å; F47-Y51 HydrophobicContact CZ-CE2 3.8Å; F47-Y51 WeakPolarHBondContact O-CA 3.35Å; F47-Y51 WeakPolarHBondContact O-CB 3.37Å; F47-Y51 PolarHBondContact O-N 3.04Å; F47-W55 VanDerWaalsContact C-CD1 3.48Å; F47-W55 HydrophobicContact CB-CB 4.15Å; F47-W55 HydrophobicContact CB-CD2 3.76Å; F47-W55 HydrophobicContact CB-CE3 4.33Å; F47-W55 HydrophobicContact CB-CG 3.65Å; F47-W55 AromaticContact CD1-CD2 3.87Å; F47-W55 HydrophobicContact CD1-CD2 3.87Å; F47-W55 AromaticContact CD1-CE2 3.84Å; F47-W55 AromaticContact CD1-CE3 3.85Å; F47-W55 HydrophobicContact CD1-CE3 3.85Å; F47-W55 AromaticContact CD1-CH2 3.78Å; F47-W55 HydrophobicContact CD1-CH2 3.78Å; F47-W55 AromaticContact CD1-CZ2 3.81Å; F47-W55 HydrophobicContact CD1-CZ2 3.81Å; F47-W55 AromaticContact CD1-CZ3 3.81Å; F47-W55 HydrophobicContact CD1-CZ3 3.81Å; F47-W55 HydrophobicContact CE1-CH2 4.2Å; F47-W55 HydrophobicContact CE1-CZ3 4.33Å; F47-W55 HydrophobicContact CG-CD2 4.29Å; F47-W55 HydrophobicContact CG-CE3 4.48Å; F47-W55 PolarHBondContact O-NE1 3.45Å; F47-L86 HydrophobicContact CD1-CD2 3.62Å; F47-L86 HydrophobicContact CD1-CG 4.36Å; F47-L86 HydrophobicContact CD2-CD2 3.8Å; F47-L86 HydrophobicContact CE1-CD2 3.62Å; F47-L86 HydrophobicContact CE2-CD2 3.82Å; F47-L86 HydrophobicContact CG-CD1 4.48Å; F47-L86 HydrophobicContact CG-CD2 3.73Å; F47-L86 HydrophobicContact CZ-CD2 3.74Å
48	N	97.4	Very high	97.8	Very high	22 Å²	22	55.2 Å²	55.2	12%	0.118	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-41.1	171	-82.2	-25.5	0	0	0	112.4	R44 N45 G52 R53 W55	R44-N48 VanDerWaalsContact O-CB 3.26Å; R44-N48 WeakPolarHBondContact O-CB 3.27Å; R44-N48 VanDerWaalsContact O-CG 3.24Å; R44-N48 PolarHBondContact O-N 2.9Å; R44-N48 PolarHBondContact O-ND2 3.24Å; N45-N48 PolarHBondContact O-N 3.07Å; N48-G52 CarbonylContact O-C 3.52Å; N48-G52 WeakPolarHBondContact O-CA 3.38Å; N48-G52 PolarHBondContact O-N 3.4Å; N48-R53 HydrophobicContact CB-CG 3.9Å; N48-R53 WeakPolarHBondContact OD1-CA 3.46Å; N48-W55 WeakPolarHBondContact OD1-CB 3.44Å; N48-W55 PolarHBondContact OD1-N 2.92Å
49	Q	97.8	Very high	97.8	Very high	160 Å²	160	53.2 Å²	53.2	75%	0.748	26%	0.259	S	S	*	.	H	α-helix	trans	-72	-42.9	-179.7	-174.9	176.3	23.6	0	0	111.9	N45 Q46 F47	N45-Q49 WeakPolarHBondContact O-CB 3.25Å; N45-Q49 PolarHBondContact O-N 2.76Å; Q46-Q49 PolarHBondContact O-N 2.67Å; F47-Q49 VanDerWaalsContact C-N 3.29Å; F47-Q49 PolarHBondContact O-N 3.25Å
50	K	98	Very high	97.8	Very high	118 Å²	118	53.5 Å²	53.5	51%	0.513	26%	0.264	S	S	.	.	H	α-helix	trans	-87.6	-34.7	-172	-170.3	174.2	177.2	-170.9	0	114	D21 Q46 F47	D21-K50 VanDerWaalsContact CG-NZ 3.29Å; D21-K50 IonicContact OD1-NZ 3.64Å; D21-K50 WeakPolarHBondContact OD2-CD 3.5Å; D21-K50 IonicContact OD2-NZ 2.66Å; D21-K50 PolarHBondContact OD2-NZ 3.45Å; Q46-K50 VanDerWaalsContact O-CB 3.32Å; Q46-K50 WeakPolarHBondContact O-CB 3.09Å; Q46-K50 PolarHBondContact O-N 3.49Å; F47-K50 PolarHBondContact O-N 3.46Å
51	Y	96.4	Very high	97.5	Very high	45 Å²	45	55.3 Å²	55.3	18%	0.176	28%	0.284	C	S	.	.	H	α-helix	trans	-120.9	7.8	-171	-56.5	-62.1	0	0	0	113.5	M18 D21 F47 R88	M18-Y51 HydrophobicContact CE-CD1 3.39Å; M18-Y51 HydrophobicContact CE-CE1 3.52Å; M18-Y51 HydrophobicContact CE-CG 4.16Å; M18-Y51 HydrophobicContact CG-CD1 4.5Å; M18-Y51 HydrophobicContact CG-CE1 3.89Å; M18-Y51 HydrophobicContact CG-CE2 4.47Å; M18-Y51 HydrophobicContact SD-CD1 4.11Å; M18-Y51 HydrophobicContact SD-CE1 4.09Å; M18-Y51 HydrophobicContact SD-CG 4.43Å; D21-Y51 PolarHBondContact OD2-OH 3.16Å; D21-Y51 VanDerWaalsContact OD2-OH 3.06Å; F47-Y51 HydrophobicContact CB-CD2 4.32Å; F47-Y51 AromaticContact CD1-CD2 3.48Å; F47-Y51 HydrophobicContact CD1-CD2 3.48Å; F47-Y51 VanDerWaalsContact CD1-CD2 3.48Å; F47-Y51 AromaticContact CD1-CE2 3.92Å; F47-Y51 HydrophobicContact CD1-CE2 3.92Å; F47-Y51 HydrophobicContact CD2-CD2 4.4Å; F47-Y51 HydrophobicContact CD2-CE2 4.42Å; F47-Y51 AromaticContact CE1-CD2 3.71Å; F47-Y51 HydrophobicContact CE1-CD2 3.71Å; F47-Y51 AromaticContact CE1-CE2 3.68Å; F47-Y51 HydrophobicContact CE1-CE2 3.68Å; F47-Y51 HydrophobicContact CE2-CE2 4.19Å; F47-Y51 AromaticContact CG-CD2 3.85Å; F47-Y51 HydrophobicContact CG-CD2 3.85Å; F47-Y51 HydrophobicContact CG-CE2 4.27Å; F47-Y51 HydrophobicContact CZ-CD2 4.24Å; F47-Y51 AromaticContact CZ-CE2 3.8Å; F47-Y51 HydrophobicContact CZ-CE2 3.8Å; F47-Y51 WeakPolarHBondContact O-CA 3.35Å; F47-Y51 WeakPolarHBondContact O-CB 3.37Å; F47-Y51 PolarHBondContact O-N 3.04Å; Y51-R88 PolarHBondContact O-NH1 3.04Å; Y51-R88 VanDerWaalsContact O-NH1 3.14Å
52	G	94.8	Very high	97.2	Very high	31 Å²	31	59 Å²	59	32%	0.32	31%	0.307	S	S	.	.			trans	80	153.3	179.5	0	0	0	0	0	113.5	N48 W55	N48-G52 CarbonylContact O-C 3.52Å; N48-G52 WeakPolarHBondContact O-CA 3.38Å; N48-G52 PolarHBondContact O-N 3.4Å; G52-W55 PolarHBondContact O-NE1 2.83Å
53	R	95.5	Very high	97	Very high	179 Å²	179	59.3 Å²	59.3	68%	0.675	31%	0.309	S	S	*	.	S	Bend	trans	-75.7	155.2	-179.1	-65.3	-179.1	176.2	-173.1	-0.1	112.2	N48 R88 N91	N48-R53 HydrophobicContact CB-CG 3.9Å; N48-R53 WeakPolarHBondContact OD1-CA 3.46Å; R53-R88 PolarHBondContact O-NH2 3.32Å; R53-N91 PolarHBondContact O-ND2 3.05Å; R53-N91 VanDerWaalsContact O-ND2 3.16Å
54	T	95.7	Very high	96.9	Very high	44 Å²	44	63.1 Å²	63.1	27%	0.27	35%	0.349	S	S	.	.			cis	-118.6	110.5	6.3	-56	0	0	0	0	111.7	R88 S89 N91	T54-R88 WeakPolarHBondContact O-CA 3.42Å; T54-S89 PolarHBondContact O-N 3.11Å; T54-N91 WeakPolarHBondContact CB-OD1 3.5Å; T54-N91 PolarHBondContact N-OD1 2.78Å; T54-N91 PolarHBondContact OG1-OD1 3.11Å
55	W	97.8	Very high	96.7	Very high	4 Å²	4	61 Å²	61	2%	0.015	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	149.5	171	-66.2	84.2	0	0	0	111.4	L14 R44 F47 N48 G52 G73 L86 F87 R88	L14-W55 HydrophobicContact CD1-CH2 4.3Å; L14-W55 HydrophobicContact CD1-CZ3 4.44Å; L14-W55 HydrophobicContact CD2-CH2 3.73Å; L14-W55 HydrophobicContact CD2-CZ3 4.28Å; R44-W55 WeakPolarHBondContact CG-O 3.38Å; F47-W55 VanDerWaalsContact C-CD1 3.48Å; F47-W55 HydrophobicContact CB-CB 4.15Å; F47-W55 HydrophobicContact CB-CD2 3.76Å; F47-W55 HydrophobicContact CB-CE3 4.33Å; F47-W55 HydrophobicContact CB-CG 3.65Å; F47-W55 AromaticContact CD1-CD2 3.87Å; F47-W55 HydrophobicContact CD1-CD2 3.87Å; F47-W55 AromaticContact CD1-CE2 3.84Å; F47-W55 AromaticContact CD1-CE3 3.85Å; F47-W55 HydrophobicContact CD1-CE3 3.85Å; F47-W55 AromaticContact CD1-CH2 3.78Å; F47-W55 HydrophobicContact CD1-CH2 3.78Å; F47-W55 AromaticContact CD1-CZ2 3.81Å; F47-W55 HydrophobicContact CD1-CZ2 3.81Å; F47-W55 AromaticContact CD1-CZ3 3.81Å; F47-W55 HydrophobicContact CD1-CZ3 3.81Å; F47-W55 HydrophobicContact CE1-CH2 4.2Å; F47-W55 HydrophobicContact CE1-CZ3 4.33Å; F47-W55 HydrophobicContact CG-CD2 4.29Å; F47-W55 HydrophobicContact CG-CE3 4.48Å; F47-W55 PolarHBondContact O-NE1 3.45Å; N48-W55 WeakPolarHBondContact OD1-CB 3.44Å; N48-W55 PolarHBondContact OD1-N 2.92Å; G52-W55 PolarHBondContact O-NE1 2.83Å; W55-G73 WeakPolarHBondContact CZ3-O 3.3Å; W55-L86 HydrophobicContact CE3-CD1 4.07Å; W55-L86 HydrophobicContact CE3-CG 3.86Å; W55-L86 HydrophobicContact CZ3-CG 4.16Å; W55-F87 CarbonylContact C-O 3.54Å; W55-F87 WeakPolarHBondContact CA-O 3.46Å; W55-R88 HydrophobicContact CD2-CB 3.8Å; W55-R88 HydrophobicContact CD2-CG 4.49Å; W55-R88 HydrophobicContact CE3-CB 3.89Å; W55-R88 HydrophobicContact CG-CB 4.36Å; W55-R88 HydrophobicContact CH2-CB 4.2Å; W55-R88 HydrophobicContact CZ2-CB 4.11Å; W55-R88 HydrophobicContact CZ3-CB 4.08Å
56	H	98.2	Very high	96.6	Very high	67 Å²	67	65.1 Å²	65.1	31%	0.31	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146.5	175.7	-55.1	-80.9	0	0	0	108.4	L86 F87 S89	H56-L86 WeakPolarHBondContact O-CA 3.36Å; H56-L86 WeakPolarHBondContact O-CD1 3.48Å; H56-F87 HydrophobicContact CB-CD1 4.08Å; H56-F87 HydrophobicContact CB-CD2 4.39Å; H56-F87 HydrophobicContact CB-CE1 3.59Å; H56-F87 HydrophobicContact CB-CE2 3.92Å; H56-F87 HydrophobicContact CB-CG 4.47Å; H56-F87 HydrophobicContact CB-CZ 3.5Å; H56-F87 AromaticContact CD2-CE2 3.69Å; H56-F87 AromaticContact CG-CZ 3.95Å; H56-F87 PolarHBondContact N-O 2.66Å; H56-F87 PolarHBondContact O-N 3.06Å; H56-S89 PolarHBondContact NE2-OG 3.18Å
57	C	98.6	Very high	96.4	Very high	20 Å²	20	64.3 Å²	64.3	14%	0.135	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	137.1	179.1	-170.7	0	0	0	0	110.8	A40 L43 R44 L85 L86	A40-C57 HydrophobicContact CB-CB 4.21Å; A40-C57 WeakPolarHBondContact O-CB 3.49Å; L43-C57 HydrophobicContact CB-CB 4.39Å; R44-C57 HydrophobicContact CB-CB 4.27Å; C57-L85 CarbonylContact C-O 3.54Å; C57-L85 VanDerWaalsContact CA-O 3.28Å; C57-L85 WeakPolarHBondContact CA-O 3.48Å; C57-L86 HydrophobicContact CB-CD1 3.84Å
58	I	98.5	Very high	96.1	Very high	68 Å²	68	69.6 Å²	69.6	35%	0.349	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132	173.5	-53.5	-179.2	0	0	0	107.5	F63 V84 L85	I58-F63 HydrophobicContact CG2-CD1 4.18Å; I58-F63 HydrophobicContact CG2-CD2 4.49Å; I58-F63 HydrophobicContact CG2-CE1 4.11Å; I58-F63 HydrophobicContact CG2-CE2 4.45Å; I58-F63 HydrophobicContact CG2-CG 4.37Å; I58-F63 HydrophobicContact CG2-CZ 4.27Å; I58-V84 WeakPolarHBondContact O-CA 3.43Å; I58-L85 HydrophobicContact CB-CB 4.35Å; I58-L85 HydrophobicContact CD1-CD2 4.23Å; I58-L85 PolarHBondContact N-O 3.44Å; I58-L85 PolarHBondContact O-N 3.41Å
59	V	98.5	Very high	96	Very high	18 Å²	18	72 Å²	72	11%	0.109	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.2	175.8	-179.8	0	0	0	0	108	D36 I39 A40 K82 S83 V84	D36-V59 HydrophobicContact CB-CB 4.11Å; D36-V59 HydrophobicContact CB-CG1 3.94Å; I39-V59 HydrophobicContact CB-CG2 4.38Å; I39-V59 HydrophobicContact CG2-CG1 4.4Å; I39-V59 HydrophobicContact CG2-CG2 3.96Å; A40-V59 HydrophobicContact CB-CB 4.39Å; A40-V59 HydrophobicContact CB-CG2 3.87Å; V59-K82 HydrophobicContact CG1-CB 4.33Å; V59-K82 HydrophobicContact CG1-CD 4.25Å; V59-K82 HydrophobicContact CG1-CG 4.47Å; V59-S83 WeakPolarHBondContact CA-O 3.26Å; V59-V84 HydrophobicContact CG1-CG2 4.46Å; V59-V84 HydrophobicContact CG2-CG1 4.26Å; V59-V84 HydrophobicContact CG2-CG2 4.29Å
60	G	97.3	Very high	95.8	Very high	12 Å²	12	65.7 Å²	65.7	12%	0.124	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	174.5	178.2	0	0	0	0	0	112.8	S83	G60-S83 PolarHBondContact N-O 3.22Å; G60-S83 VanDerWaalsContact N-O 3.07Å; G60-S83 WeakPolarHBondContact O-CB 3.3Å; G60-S83 PolarHBondContact O-N 3.06Å
61	G	93.7	Very high	95.5	Very high	51 Å²	51	68 Å²	68	53%	0.526	40%	0.404	S	S	.	.	S	Bend	trans	-71.2	-51.6	175.2	0	0	0	0	0	112.1	S83	G61-S83 PolarHBondContact O-OG 3.12Å; G61-S83 VanDerWaalsContact O-OG 3.14Å
62	S	91.2	Very high	95.3	Very high	116 Å²	116	70.5 Å²	70.5	81%	0.811	42%	0.423	S	S	*	.	S	Bend	trans	-145.9	136.2	177.4	-177.6	0	0	0	0	109.2
63	F	96.1	Very high	95.3	Very high	50 Å²	50	69 Å²	69	22%	0.219	41%	0.408	C	S	.	.			trans	-155	151.2	174.2	57.2	-97.1	0	0	0	110.1	I58 Y76 S83 L85	I58-F63 HydrophobicContact CG2-CD1 4.18Å; I58-F63 HydrophobicContact CG2-CD2 4.49Å; I58-F63 HydrophobicContact CG2-CE1 4.11Å; I58-F63 HydrophobicContact CG2-CE2 4.45Å; I58-F63 HydrophobicContact CG2-CG 4.37Å; I58-F63 HydrophobicContact CG2-CZ 4.27Å; F63-Y76 HydrophobicContact CE2-CE2 4.33Å; F63-Y76 HydrophobicContact CZ-CD2 4.35Å; F63-Y76 AromaticContact CZ-CE2 3.91Å; F63-Y76 HydrophobicContact CZ-CE2 3.91Å; F63-S83 VanDerWaalsContact CE1-CB 3.47Å; F63-S83 WeakPolarHBondContact CE1-O 3.44Å; F63-L85 HydrophobicContact CE2-CB 3.91Å; F63-L85 HydrophobicContact CE2-CD2 4.36Å; F63-L85 HydrophobicContact CZ-CB 3.79Å
64	G	95.7	Very high	95.4	Very high	80 Å²	80	61.1 Å²	61.1	83%	0.825	38%	0.379	S	S	*	.			trans	-94.7	147.9	159.8	0	0	0	0	0	109.4
65	S	94.7	Very high	95.6	Very high	64 Å²	64	59 Å²	59	45%	0.448	37%	0.366	S	S	.	.			trans	-143.4	137.6	177.2	59.5	0	0	0	0	111	L85	S65-L85 WeakPolarHBondContact OG-CD2 3.03Å
66	N	95.1	Very high	95.6	Very high	163 Å²	163	61.7 Å²	61.7	87%	0.872	38%	0.377	S	S	*	.			trans	-129.5	109.6	165.1	-173	2.6	0	0	0	107
67	V	94.3	Very high	95.6	Very high	38 Å²	38	58.5 Å²	58.5	23%	0.23	36%	0.362	C	S	.	.			trans	-134.7	135.8	-171.8	-60.5	0	0	0	0	111	H69 L74 L85 F87	V67-H69 PolarHBondContact O-ND1 2.83Å; V67-L74 HydrophobicContact CG2-CD1 4.28Å; V67-L85 HydrophobicContact CG2-CD2 4.25Å; V67-F87 HydrophobicContact CB-CD2 4.21Å; V67-F87 HydrophobicContact CB-CE1 4.31Å; V67-F87 HydrophobicContact CB-CE2 3.81Å; V67-F87 HydrophobicContact CB-CZ 3.86Å; V67-F87 HydrophobicContact CG1-CE1 4.01Å; V67-F87 HydrophobicContact CG1-CE2 4.2Å; V67-F87 HydrophobicContact CG1-CZ 3.71Å; V67-F87 HydrophobicContact CG2-CD1 4.12Å; V67-F87 HydrophobicContact CG2-CD2 3.96Å; V67-F87 HydrophobicContact CG2-CE1 4.19Å; V67-F87 HydrophobicContact CG2-CE2 4.06Å; V67-F87 HydrophobicContact CG2-CG 3.99Å; V67-F87 HydrophobicContact CG2-CZ 4.16Å
68	S	93.9	Very high	95.5	Very high	111 Å²	111	59.7 Å²	59.7	78%	0.776	37%	0.367	S	S	*	.			trans	-77.9	131.9	167.3	-56.4	0	0	0	0	109.5
69	H	94	Very high	95.3	Very high	73 Å²	73	56.7 Å²	56.7	34%	0.338	35%	0.352	S	S	.	.			trans	-147.7	157.6	-177.1	57.1	-78.1	0	0	0	109.8	V67 L74 F87 R88	V67-H69 PolarHBondContact O-ND1 2.83Å; H69-L74 HydrophobicContact CB-CD1 4.48Å; H69-L74 WeakPolarHBondContact CD2-CB 3.4Å; H69-L74 VanDerWaalsContact CE1-CD1 3.49Å; H69-L74 WeakPolarHBondContact CE1-CD1 3.32Å; H69-F87 HydrophobicContact CB-CB 4.11Å; H69-F87 HydrophobicContact CB-CD2 4.04Å; H69-R88 CarbonylContact C-O 3.57Å; H69-R88 WeakPolarHBondContact CA-O 3.45Å; H69-R88 WeakPolarHBondContact CB-O 3.45Å
70	V	94.3	Very high	95	Very high	28 Å²	28	58 Å²	58	17%	0.17	37%	0.369	C	S	.	.			trans	-69.4	151.4	174.6	-51.9	0	0	0	0	110.4	T72 G73 R88 E90	V70-T72 PolarHBondContact O-N 3.32Å; V70-T72 VanDerWaalsContact O-N 3.11Å; V70-G73 PolarHBondContact O-N 2.93Å; V70-R88 HydrophobicContact CG2-CB 3.97Å; V70-R88 HydrophobicContact CG2-CG 4.03Å; V70-R88 PolarHBondContact N-O 3.32Å; V70-E90 HydrophobicContact CG1-CB 4.47Å; V70-E90 HydrophobicContact CG1-CG 3.86Å
71	E	90.5	Very high	94.7	Very high	166 Å²	166	68.5 Å²	68.5	78%	0.776	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-39.3	-172.4	-171.9	175.4	-166.3	0	0	113.4	N13	N13-E71 WeakPolarHBondContact CB-O 3.42Å
72	T	91.9	Very high	94.7	Very high	97 Å²	97	68.8 Å²	68.8	60%	0.595	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	42.4	-179.6	52.8	0	0	0	0	112.4	L14 V70	L14-T72 VanDerWaalsContact CD2-O 3.3Å; L14-T72 WeakPolarHBondContact CD2-O 3.49Å; V70-T72 PolarHBondContact O-N 3.32Å; V70-T72 VanDerWaalsContact O-N 3.11Å
73	G	95.9	Very high	95	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	36%	0.356	C	S	.	.			trans	-135	13.4	-167.1	0	0	0	0	0	116.4	W55 V70 F87 R88	W55-G73 WeakPolarHBondContact CZ3-O 3.3Å; V70-G73 PolarHBondContact O-N 2.93Å; G73-F87 CarbonylContact O-C 3.52Å; G73-F87 WeakPolarHBondContact O-CA 3.38Å; G73-R88 PolarHBondContact O-N 3.18Å
74	L	98	Very high	95.1	Very high	13 Å²	13	61.4 Å²	61.4	7%	0.068	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.5	-175.5	179.8	147.3	0	0	0	113.1	T11 S12 N13 V67 H69 L85 F87	T11-L74 HydrophobicContact CG2-CD2 3.89Å; S12-L74 CarbonylContact C-O 3.57Å; S12-L74 VanDerWaalsContact CA-O 3.31Å; S12-L74 WeakPolarHBondContact CA-O 3.38Å; N13-L74 PolarHBondContact N-O 3.05Å; V67-L74 HydrophobicContact CG2-CD1 4.28Å; H69-L74 HydrophobicContact CB-CD1 4.48Å; H69-L74 WeakPolarHBondContact CD2-CB 3.4Å; H69-L74 VanDerWaalsContact CE1-CD1 3.49Å; H69-L74 WeakPolarHBondContact CE1-CD1 3.32Å; L74-L85 HydrophobicContact CD1-CD1 4.02Å; L74-L85 HydrophobicContact CG-CD1 4.13Å; L74-F87 HydrophobicContact CB-CB 4.19Å; L74-F87 HydrophobicContact CD1-CB 4.1Å; L74-F87 HydrophobicContact CG-CB 4.19Å
75	I	98.5	Very high	95.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	135.9	163.9	-171.2	178.1	0	0	0	110.5	V9 L14 Q19 A22 F77 L86	V9-I75 HydrophobicContact CG1-CD1 4.47Å; V9-I75 HydrophobicContact CG1-CG1 4.27Å; V9-I75 HydrophobicContact CG2-CD1 4.4Å; L14-I75 HydrophobicContact CD1-CB 3.79Å; L14-I75 HydrophobicContact CD1-CG2 3.64Å; L14-I75 HydrophobicContact CG-CB 4.21Å; Q19-I75 HydrophobicContact CB-CD1 3.87Å; Q19-I75 HydrophobicContact CG-CD1 4Å; A22-I75 HydrophobicContact CB-CD1 4.19Å; A22-I75 HydrophobicContact CB-CG2 4.1Å; I75-F77 HydrophobicContact CD1-CD1 3.86Å; I75-F77 HydrophobicContact CD1-CE1 4.38Å; I75-F77 HydrophobicContact CG1-CD1 3.92Å; I75-F77 HydrophobicContact CG2-CD1 4.38Å; I75-F77 HydrophobicContact CG2-CE1 4.38Å; I75-L86 HydrophobicContact CG2-CB 3.85Å; I75-L86 HydrophobicContact CG2-CD2 4.27Å; I75-L86 HydrophobicContact CG2-CG 4.45Å; I75-L86 PolarHBondContact N-O 3.14Å; I75-L86 PolarHBondContact O-N 2.99Å
76	Y	98.3	Very high	95.4	Very high	60 Å²	60	54.7 Å²	54.7	24%	0.235	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.7	169.9	174.8	-131.1	0	0	0	109.5	K10 T11 F63 V84 L85	K10-Y76 HydrophobicContact CB-CD1 3.41Å; K10-Y76 VanDerWaalsContact CB-CD1 3.41Å; K10-Y76 HydrophobicContact CB-CE1 3.68Å; K10-Y76 HydrophobicContact CB-CG 4.25Å; K10-Y76 HydrophobicContact CG-CD1 4.03Å; K10-Y76 HydrophobicContact CG-CE1 3.81Å; K10-Y76 PolarHBondContact N-O 3.21Å; T11-Y76 PolarHBondContact N-O 2.83Å; T11-Y76 PolarHBondContact O-N 3.07Å; F63-Y76 HydrophobicContact CE2-CE2 4.33Å; F63-Y76 HydrophobicContact CZ-CD2 4.35Å; F63-Y76 AromaticContact CZ-CE2 3.91Å; F63-Y76 HydrophobicContact CZ-CE2 3.91Å; Y76-V84 WeakPolarHBondContact CA-O 3.49Å; Y76-V84 WeakPolarHBondContact CD2-O 3.46Å; Y76-L85 HydrophobicContact CD2-CB 4.31Å
77	F	97.8	Very high	95.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	159.2	-179.5	65.9	-85	0	0	0	112.9	A7 I8 V9 A22 V23 C26 I75 L79 V84	A7-F77 HydrophobicContact CB-CD2 4.28Å; I8-F77 CarbonylContact O-C 3.33Å; I8-F77 VanDerWaalsContact O-CA 3.25Å; I8-F77 WeakPolarHBondContact O-CA 3.37Å; I8-F77 WeakPolarHBondContact O-CB 3.48Å; V9-F77 HydrophobicContact CB-CB 4.49Å; V9-F77 HydrophobicContact CG2-CB 4.21Å; A22-F77 HydrophobicContact CB-CE1 4.28Å; V23-F77 HydrophobicContact CG2-CD2 4.11Å; V23-F77 HydrophobicContact CG2-CE2 4.14Å; V23-F77 HydrophobicContact CG2-CG 4.36Å; V23-F77 HydrophobicContact CG2-CZ 4.41Å; C26-F77 HydrophobicContact CB-CE2 3.94Å; C26-F77 HydrophobicContact CB-CZ 3.67Å; I75-F77 HydrophobicContact CD1-CD1 3.86Å; I75-F77 HydrophobicContact CD1-CE1 4.38Å; I75-F77 HydrophobicContact CG1-CD1 3.92Å; I75-F77 HydrophobicContact CG2-CD1 4.38Å; I75-F77 HydrophobicContact CG2-CE1 4.38Å; F77-L79 HydrophobicContact CD2-CB 4.23Å; F77-L79 HydrophobicContact CE2-CB 4.09Å; F77-V84 HydrophobicContact CD1-CB 4.29Å; F77-V84 HydrophobicContact CD2-CB 4.39Å; F77-V84 HydrophobicContact CE1-CB 3.91Å; F77-V84 HydrophobicContact CE1-CG1 3.74Å; F77-V84 HydrophobicContact CE2-CB 4Å; F77-V84 HydrophobicContact CE2-CG1 4.4Å; F77-V84 HydrophobicContact CE2-CG2 4.12Å; F77-V84 HydrophobicContact CZ-CB 3.75Å; F77-V84 HydrophobicContact CZ-CG1 3.67Å; F77-V84 HydrophobicContact CZ-CG2 4.2Å; F77-V84 PolarHBondContact N-O 2.77Å; F77-V84 PolarHBondContact O-N 3.46Å
78	L	96.6	Very high	95.7	Very high	45 Å²	45	50 Å²	50	24%	0.236	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	134.4	171.6	-53.5	-179.6	0	0	0	109.7	A7 I8 K10 K82 S83	A7-L78 CarbonylContact C-O 3.53Å; A7-L78 VanDerWaalsContact CA-O 3.27Å; A7-L78 WeakPolarHBondContact CA-O 3.18Å; I8-L78 HydrophobicContact CB-CB 4.31Å; I8-L78 PolarHBondContact N-O 2.89Å; I8-L78 PolarHBondContact O-N 3.38Å; K10-L78 VanDerWaalsContact CE-CD1 3.41Å; K10-L78 HydrophobicContact CG-CG 4.28Å; L78-K82 WeakPolarHBondContact CA-O 3.31Å; L78-S83 VanDerWaalsContact CD2-OG 3.23Å; L78-S83 WeakPolarHBondContact CD2-OG 3.44Å
79	L	95	Very high	95.7	Very high	6 Å²	6	46 Å²	46	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	110	171.6	-175	59	0	0	0	109.7	L4 N5 A7 C26 L27 M30 F77 R81 K82	L4-L79 HydrophobicContact CD2-CD1 3.75Å; L4-L79 HydrophobicContact CD2-CD2 4.09Å; L4-L79 HydrophobicContact CD2-CG 3.6Å; N5-L79 WeakPolarHBondContact O-CD1 3.36Å; A7-L79 HydrophobicContact CB-CD1 4.19Å; C26-L79 HydrophobicContact CB-CD2 4.12Å; L27-L79 HydrophobicContact CB-CD2 4.18Å; M30-L79 HydrophobicContact SD-CB 4.22Å; M30-L79 HydrophobicContact SD-CD2 3.66Å; M30-L79 HydrophobicContact SD-CG 3.81Å; F77-L79 HydrophobicContact CD2-CB 4.23Å; F77-L79 HydrophobicContact CE2-CB 4.09Å; L79-R81 PolarHBondContact O-N 2.85Å; L79-K82 PolarHBondContact N-O 2.91Å; L79-K82 PolarHBondContact O-N 3.23Å; L79-K82 VanDerWaalsContact O-N 3.11Å
80	G	91.2	Very high	95.4	Very high	46 Å²	46	49.7 Å²	49.7	47%	0.474	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	-120.5	-170.2	0	0	0	0	0	111.8
81	R	91.1	Very high	94.3	Very high	232 Å²	232	51.9 Å²	51.9	88%	0.875	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	12.3	176.7	-63	-176.2	-178.5	176.4	-0.6	113.2	L79	L79-R81 PolarHBondContact O-N 2.85Å
82	K	94.6	Very high	92.8	Very high	57 Å²	57	51.4 Å²	51.4	25%	0.248	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.3	-176.9	-60.7	-63	-178.5	179.4	0	110.3	M30 D36 V59 L78 L79 V84	M30-K82 HydrophobicContact CE-CB 4.39Å; M30-K82 HydrophobicContact CE-CG 3.84Å; D36-K82 WeakPolarHBondContact OD1-CD 3.47Å; D36-K82 WeakPolarHBondContact OD1-CE 3.34Å; D36-K82 IonicContact OD1-NZ 2.78Å; D36-K82 PolarHBondContact OD1-NZ 3.43Å; D36-K82 IonicContact OD2-NZ 2.69Å; D36-K82 PolarHBondContact OD2-NZ 3.3Å; V59-K82 HydrophobicContact CG1-CB 4.33Å; V59-K82 HydrophobicContact CG1-CD 4.25Å; V59-K82 HydrophobicContact CG1-CG 4.47Å; L78-K82 WeakPolarHBondContact CA-O 3.31Å; L79-K82 PolarHBondContact N-O 2.91Å; L79-K82 PolarHBondContact O-N 3.23Å; L79-K82 VanDerWaalsContact O-N 3.11Å; K82-V84 HydrophobicContact CB-CG2 4.5Å
83	S	97.3	Very high	90.9	Very high	10 Å²	10	58 Å²	58	7%	0.07	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	131.3	164.6	-61.2	0	0	0	0	107.6	V59 G60 G61 F63 L78	V59-S83 WeakPolarHBondContact CA-O 3.26Å; G60-S83 PolarHBondContact N-O 3.22Å; G60-S83 VanDerWaalsContact N-O 3.07Å; G60-S83 WeakPolarHBondContact O-CB 3.3Å; G60-S83 PolarHBondContact O-N 3.06Å; G61-S83 PolarHBondContact O-OG 3.12Å; G61-S83 VanDerWaalsContact O-OG 3.14Å; F63-S83 VanDerWaalsContact CE1-CB 3.47Å; F63-S83 WeakPolarHBondContact CE1-O 3.44Å; L78-S83 VanDerWaalsContact CD2-OG 3.23Å; L78-S83 WeakPolarHBondContact CD2-OG 3.44Å
84	V	98.4	Very high	90.7	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	117.3	-176.4	-176.7	0	0	0	0	109.1	L43 I58 V59 Y76 F77 K82	L43-V84 HydrophobicContact CD1-CG1 3.78Å; I58-V84 WeakPolarHBondContact O-CA 3.43Å; V59-V84 HydrophobicContact CG1-CG2 4.46Å; V59-V84 HydrophobicContact CG2-CG1 4.26Å; V59-V84 HydrophobicContact CG2-CG2 4.29Å; Y76-V84 WeakPolarHBondContact CA-O 3.49Å; Y76-V84 WeakPolarHBondContact CD2-O 3.46Å; F77-V84 HydrophobicContact CD1-CB 4.29Å; F77-V84 HydrophobicContact CD2-CB 4.39Å; F77-V84 HydrophobicContact CE1-CB 3.91Å; F77-V84 HydrophobicContact CE1-CG1 3.74Å; F77-V84 HydrophobicContact CE2-CB 4Å; F77-V84 HydrophobicContact CE2-CG1 4.4Å; F77-V84 HydrophobicContact CE2-CG2 4.12Å; F77-V84 HydrophobicContact CZ-CB 3.75Å; F77-V84 HydrophobicContact CZ-CG1 3.67Å; F77-V84 HydrophobicContact CZ-CG2 4.2Å; F77-V84 PolarHBondContact N-O 2.77Å; F77-V84 PolarHBondContact O-N 3.46Å; K82-V84 HydrophobicContact CB-CG2 4.5Å
85	L	98.6	Very high	90.3	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.3	170.6	176.9	68.2	0	0	0	108.1	C57 I58 F63 S65 V67 L74 Y76 F87	C57-L85 CarbonylContact C-O 3.54Å; C57-L85 VanDerWaalsContact CA-O 3.28Å; C57-L85 WeakPolarHBondContact CA-O 3.48Å; I58-L85 HydrophobicContact CB-CB 4.35Å; I58-L85 HydrophobicContact CD1-CD2 4.23Å; I58-L85 PolarHBondContact N-O 3.44Å; I58-L85 PolarHBondContact O-N 3.41Å; F63-L85 HydrophobicContact CE2-CB 3.91Å; F63-L85 HydrophobicContact CE2-CD2 4.36Å; F63-L85 HydrophobicContact CZ-CB 3.79Å; S65-L85 WeakPolarHBondContact OG-CD2 3.03Å; V67-L85 HydrophobicContact CG2-CD2 4.25Å; L74-L85 HydrophobicContact CD1-CD1 4.02Å; L74-L85 HydrophobicContact CG-CD1 4.13Å; Y76-L85 HydrophobicContact CD2-CB 4.31Å; L85-F87 HydrophobicContact CD2-CD1 4.07Å; L85-F87 HydrophobicContact CD2-CE1 4.24Å; L85-F87 HydrophobicContact CG-CD1 3.95Å
86	L	98.7	Very high	89.8	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	119.9	176.1	177	68.5	0	0	0	107.5	A22 L43 F47 W55 H56 C57 I75	A22-L86 HydrophobicContact CB-CD2 4.12Å; L43-L86 HydrophobicContact CB-CD1 4.5Å; F47-L86 HydrophobicContact CD1-CD2 3.62Å; F47-L86 HydrophobicContact CD1-CG 4.36Å; F47-L86 HydrophobicContact CD2-CD2 3.8Å; F47-L86 HydrophobicContact CE1-CD2 3.62Å; F47-L86 HydrophobicContact CE2-CD2 3.82Å; F47-L86 HydrophobicContact CG-CD1 4.48Å; F47-L86 HydrophobicContact CG-CD2 3.73Å; F47-L86 HydrophobicContact CZ-CD2 3.74Å; W55-L86 HydrophobicContact CE3-CD1 4.07Å; W55-L86 HydrophobicContact CE3-CG 3.86Å; W55-L86 HydrophobicContact CZ3-CG 4.16Å; H56-L86 WeakPolarHBondContact O-CA 3.36Å; H56-L86 WeakPolarHBondContact O-CD1 3.48Å; C57-L86 HydrophobicContact CB-CD1 3.84Å; I75-L86 HydrophobicContact CG2-CB 3.85Å; I75-L86 HydrophobicContact CG2-CD2 4.27Å; I75-L86 HydrophobicContact CG2-CG 4.45Å; I75-L86 PolarHBondContact N-O 3.14Å; I75-L86 PolarHBondContact O-N 2.99Å
87	F	98.2	Very high	89.3	Confident	20 Å²	20	67.3 Å²	67.3	9%	0.088	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	152.4	-176	70.1	-80.6	0	0	0	113.1	W55 H56 V67 H69 G73 L74 L85	W55-F87 CarbonylContact C-O 3.54Å; W55-F87 WeakPolarHBondContact CA-O 3.46Å; H56-F87 HydrophobicContact CB-CD1 4.08Å; H56-F87 HydrophobicContact CB-CD2 4.39Å; H56-F87 HydrophobicContact CB-CE1 3.59Å; H56-F87 HydrophobicContact CB-CE2 3.92Å; H56-F87 HydrophobicContact CB-CG 4.47Å; H56-F87 HydrophobicContact CB-CZ 3.5Å; H56-F87 AromaticContact CD2-CE2 3.69Å; H56-F87 AromaticContact CG-CZ 3.95Å; H56-F87 PolarHBondContact N-O 2.66Å; H56-F87 PolarHBondContact O-N 3.06Å; V67-F87 HydrophobicContact CB-CD2 4.21Å; V67-F87 HydrophobicContact CB-CE1 4.31Å; V67-F87 HydrophobicContact CB-CE2 3.81Å; V67-F87 HydrophobicContact CB-CZ 3.86Å; V67-F87 HydrophobicContact CG1-CE1 4.01Å; V67-F87 HydrophobicContact CG1-CE2 4.2Å; V67-F87 HydrophobicContact CG1-CZ 3.71Å; V67-F87 HydrophobicContact CG2-CD1 4.12Å; V67-F87 HydrophobicContact CG2-CD2 3.96Å; V67-F87 HydrophobicContact CG2-CE1 4.19Å; V67-F87 HydrophobicContact CG2-CE2 4.06Å; V67-F87 HydrophobicContact CG2-CG 3.99Å; V67-F87 HydrophobicContact CG2-CZ 4.16Å; H69-F87 HydrophobicContact CB-CB 4.11Å; H69-F87 HydrophobicContact CB-CD2 4.04Å; G73-F87 CarbonylContact O-C 3.52Å; G73-F87 WeakPolarHBondContact O-CA 3.38Å; L74-F87 HydrophobicContact CB-CB 4.19Å; L74-F87 HydrophobicContact CD1-CB 4.1Å; L74-F87 HydrophobicContact CG-CB 4.19Å; L85-F87 HydrophobicContact CD2-CD1 4.07Å; L85-F87 HydrophobicContact CD2-CE1 4.24Å; L85-F87 HydrophobicContact CG-CD1 3.95Å
88	R	97.4	Very high	88.8	Confident	81 Å²	81	71.5 Å²	71.5	31%	0.306	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.1	177.1	-179.9	175.9	176.5	177.7	0.6	110.3	Y51 R53 T54 W55 H69 V70 G73	Y51-R88 PolarHBondContact O-NH1 3.04Å; Y51-R88 VanDerWaalsContact O-NH1 3.14Å; R53-R88 PolarHBondContact O-NH2 3.32Å; T54-R88 WeakPolarHBondContact O-CA 3.42Å; W55-R88 HydrophobicContact CD2-CB 3.8Å; W55-R88 HydrophobicContact CD2-CG 4.49Å; W55-R88 HydrophobicContact CE3-CB 3.89Å; W55-R88 HydrophobicContact CG-CB 4.36Å; W55-R88 HydrophobicContact CH2-CB 4.2Å; W55-R88 HydrophobicContact CZ2-CB 4.11Å; W55-R88 HydrophobicContact CZ3-CB 4.08Å; H69-R88 CarbonylContact C-O 3.57Å; H69-R88 WeakPolarHBondContact CA-O 3.45Å; H69-R88 WeakPolarHBondContact CB-O 3.45Å; V70-R88 HydrophobicContact CG2-CB 3.97Å; V70-R88 HydrophobicContact CG2-CG 4.03Å; V70-R88 PolarHBondContact N-O 3.32Å; G73-R88 PolarHBondContact O-N 3.18Å
89	S	94.4	Very high	88.3	Confident	29 Å²	29	73.3 Å²	73.3	20%	0.203	35%	0.353	C	S	.	.			trans	-95.9	156.9	170.7	64.8	0	0	0	0	110.9	T54 H56	T54-S89 PolarHBondContact O-N 3.11Å; H56-S89 PolarHBondContact NE2-OG 3.18Å
90	E	86.7	Confident	87.8	Confident	149 Å²	149	78.1 Å²	78.1	70%	0.696	38%	0.376	S	S	*	.			trans	-59.9	140.7	164.5	-95.6	169.4	-170.5	0	0	109.8	V70 I92	V70-E90 HydrophobicContact CG1-CB 4.47Å; V70-E90 HydrophobicContact CG1-CG 3.86Å; E90-I92 PolarHBondContact O-N 3.3Å
91	N	70.8	Confident	87.5	Confident	75 Å²	75	80.5 Å²	80.5	40%	0.401	37%	0.369	S	S	.	.			trans	-81.3	98.2	165.6	-67.2	-31.9	0	0	0	106.1	R53 T54 H93	R53-N91 PolarHBondContact O-ND2 3.05Å; R53-N91 VanDerWaalsContact O-ND2 3.16Å; T54-N91 WeakPolarHBondContact CB-OD1 3.5Å; T54-N91 PolarHBondContact N-OD1 2.78Å; T54-N91 PolarHBondContact OG1-OD1 3.11Å; N91-H93 PolarHBondContact O-N 2.89Å
92	I	58.9	Low	87.3	Confident	156 Å²	156	67.9 Å²	67.9	80%	0.8	33%	0.326	S	S	*	.			trans	-77.9	104.6	166.4	-52.9	178.4	0	0	0	105.3	E90	E90-I92 PolarHBondContact O-N 3.3Å
93	H	53	Low	86.6	Confident	234 Å²	234	68.9 Å²	68.9	100%	1.083	33%	0.333	S	S	*	.			trans	-83.3	0	170.1	-73.6	-59	0	0	0	110.1	N91	N91-H93 PolarHBondContact O-N 2.89Å

Retrieved 93 of 93 residues in 106.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).