A0A5K4F277_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A5K4F277, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 90 aa.

						>A0A5K4F277_SCHMA|A0A5K4F277
MTPEHKAVVKNADMSDDMQQDAVDCAAQALEKYSVEKDIASFIKKEFDKKYNPTWHCIVGRNFGSYVTHETKHFIYFYMGNVAVLLFKSG
					

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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	51.2	Low	80.7	Confident	195 Å²	195	101.7 Å²	101.7	96%	0.961	53%	0.532	S	S	*	.				0	124.5	0	-67.1	171.8	-166.5	0	0	107.8	H5	M1-H5 HydrophobicContact CB-CB 4.31Å
2	T	55.3	Low	82.2	Confident	78 Å²	78	96 Å²	96	48%	0.479	51%	0.51	S	S	.	.			trans	-61.6	154	168.9	50.8	0	0	0	0	109	E4 H5	T2-E4 PolarHBondContact O-N 3.45Å; T2-H5 PolarHBondContact O-N 2.8Å; T2-H5 PolarHBondContact OG1-CE1 2.99Å; T2-H5 PolarHBondContact OG1-ND1 2.93Å
3	P	63	Low	83.4	Confident	118 Å²	118	93.1 Å²	93.1	77%	0.766	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-52.4	-29.5	-176.1	-26.7	34	0	0	0	113.9	H5 K6	P3-H5 PolarHBondContact O-N 3.34Å; P3-K6 PolarHBondContact O-N 3.33Å
4	E	67.9	Low	84.5	Confident	147 Å²	147	87.6 Å²	87.6	69%	0.687	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-65.2	-24.5	179.2	-56.9	-175.6	-169.8	0	0	113.5	T2 G80	T2-E4 PolarHBondContact O-N 3.45Å; E4-G80 PolarHBondContact O-N 2.98Å
5	H	74.6	Confident	85.4	Confident	52 Å²	52	86 Å²	86	24%	0.241	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-96	0.8	179.2	-63.2	108	0	0	0	113.5	M1 T2 P3 A7 M79	M1-H5 HydrophobicContact CB-CB 4.31Å; T2-H5 PolarHBondContact O-N 2.8Å; T2-H5 PolarHBondContact OG1-CE1 2.99Å; T2-H5 PolarHBondContact OG1-ND1 2.93Å; P3-H5 PolarHBondContact O-N 3.34Å; H5-A7 PolarHBondContact O-N 3.26Å; H5-M79 VanDerWaalsContact O-CE 3.28Å; H5-M79 WeakPolarHBondContact O-CE 3.28Å
6	K	88.7	Confident	86.2	Confident	148 Å²	148	88.5 Å²	88.5	64%	0.643	48%	0.477	S	S	*	.			trans	-75.6	119.1	177.3	-173.4	178.2	178.5	-179.3	0	109.8	P3	P3-K6 PolarHBondContact O-N 3.33Å
7	A	96.4	Very high	86.9	Confident	25 Å²	25	90.9 Å²	90.9	21%	0.207	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	138.5	171.3	0	0	0	0	0	111.9	H5 V23 F77 Y78 M79	H5-A7 PolarHBondContact O-N 3.26Å; A7-V23 HydrophobicContact CB-CB 4.22Å; A7-V23 HydrophobicContact CB-CG1 3.6Å; A7-V23 HydrophobicContact CB-CG2 3.53Å; A7-F77 HydrophobicContact CB-CD2 4.04Å; A7-Y78 CarbonylContact C-O 3.49Å; A7-Y78 VanDerWaalsContact CA-O 3.27Å; A7-Y78 WeakPolarHBondContact CA-O 3.16Å; A7-M79 HydrophobicContact CB-CE 4.25Å; A7-M79 HydrophobicContact CB-CG 4.17Å
8	V	97.3	Very high	87.6	Confident	68 Å²	68	87.1 Å²	87.1	41%	0.412	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	98.4	169.1	-179.1	0	0	0	0	107.7	K10 F77 Y78	V8-K10 HydrophobicContact CG1-CD 4.35Å; V8-K10 PolarHBondContact O-N 2.79Å; V8-F77 CarbonylContact O-C 3.59Å; V8-F77 VanDerWaalsContact O-CA 3.31Å; V8-F77 WeakPolarHBondContact O-CA 3.27Å; V8-F77 WeakPolarHBondContact O-CB 3.48Å; V8-Y78 PolarHBondContact N-O 3.4Å; V8-Y78 PolarHBondContact O-N 2.91Å
9	V	97.9	Very high	88.2	Confident	63 Å²	63	84.5 Å²	84.5	38%	0.382	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	126.9	176	-176.4	0	0	0	0	109.3	A12 I75 F77	V9-A12 HydrophobicContact CG1-CB 4.02Å; V9-I75 HydrophobicContact CG1-CG1 4.34Å; V9-I75 HydrophobicContact CG2-CD1 4.42Å; V9-F77 HydrophobicContact CB-CB 4.39Å; V9-F77 HydrophobicContact CG2-CB 4.13Å
10	K	97.8	Very high	88.7	Confident	128 Å²	128	85.2 Å²	85.2	56%	0.557	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	-36.9	179	-66	-59.4	-175.7	-178.2	0	111.8	V8 Y76 Y78	V8-K10 HydrophobicContact CG1-CD 4.35Å; V8-K10 PolarHBondContact O-N 2.79Å; K10-Y76 HydrophobicContact CB-CD1 3.58Å; K10-Y76 HydrophobicContact CB-CE1 3.93Å; K10-Y76 HydrophobicContact CG-CD1 4.25Å; K10-Y76 HydrophobicContact CG-CE1 4.16Å; K10-Y76 PolarHBondContact N-O 3.43Å; K10-Y78 HydrophobicContact CD-CD2 4.46Å; K10-Y78 HydrophobicContact CG-CD2 3.73Å; K10-Y78 HydrophobicContact CG-CE2 3.98Å
11	N	98	Very high	89.1	Confident	97 Å²	97	83.5 Å²	83.5	52%	0.519	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	144.4	174.9	-164.9	7.7	0	0	0	109.6	F74 Y76	N11-F74 HydrophobicContact CB-CE1 4.2Å; N11-Y76 PolarHBondContact N-O 3.09Å; N11-Y76 VanDerWaalsContact N-O 3.13Å; N11-Y76 PolarHBondContact O-N 3.34Å
12	A	98.3	Very high	91.4	Very high	33 Å²	33	74.2 Å²	74.2	27%	0.273	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	137.3	177.3	0	0	0	0	0	110.6	V9 Q19 F74 I75	V9-A12 HydrophobicContact CG1-CB 4.02Å; A12-Q19 HydrophobicContact CB-CG 4.21Å; A12-F74 CarbonylContact C-O 2.87Å; A12-F74 WeakPolarHBondContact CA-O 3.31Å; A12-I75 HydrophobicContact CB-CG1 4.06Å
13	D	98.5	Very high	93.4	Very high	58 Å²	58	71.3 Å²	71.3	31%	0.31	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	82.1	161.7	175.6	29	0	0	0	106.8	H69 K72 H73 F74	D13-H69 IonicContact OD2-NE2 3.49Å; D13-K72 VanDerWaalsContact CG-N 3.33Å; D13-K72 CarbonylContact O-C 3.59Å; D13-K72 WeakPolarHBondContact O-CA 3.28Å; D13-K72 PolarHBondContact OD1-N 2.87Å; D13-K72 PolarHBondContact OD2-N 2.98Å; D13-H73 PolarHBondContact O-N 3.21Å; D13-F74 CarbonylContact C-O 3.52Å; D13-F74 HydrophobicContact CB-CB 4.38Å; D13-F74 PolarHBondContact N-O 3.06Å; D13-F74 PolarHBondContact O-N 3.37Å
14	M	98.3	Very high	95.1	Very high	17 Å²	17	68.4 Å²	68.4	8%	0.084	36%	0.359	C	S	.	.	S	Bend	trans	-171.3	168.9	174.7	52.2	163	46.6	0	0	110	M18 Q19 W55 K72 F74 I75	M14-M18 HydrophobicContact CB-CB 4.41Å; M14-M18 HydrophobicContact CB-SD 4.18Å; M14-M18 HydrophobicContact CE-CB 4.36Å; M14-M18 HydrophobicContact CE-CG 3.62Å; M14-M18 HydrophobicContact CE-SD 3.45Å; M14-M18 WeakPolarHBondContact CE-SD 3.44Å; M14-M18 HydrophobicContact SD-CB 3.97Å; M14-M18 HydrophobicContact SD-CG 3.83Å; M14-M18 HydrophobicContact SD-SD 4.28Å; M14-Q19 HydrophobicContact CG-CG 3.53Å; M14-Q19 PolarHBondContact O-NE2 3.01Å; M14-Q19 VanDerWaalsContact O-NE2 3.16Å; M14-Q19 HydrophobicContact SD-CB 4.32Å; M14-Q19 HydrophobicContact SD-CG 3.69Å; M14-W55 HydrophobicContact CE-CH2 3.85Å; M14-W55 HydrophobicContact CE-CZ3 4.03Å; M14-K72 WeakPolarHBondContact CA-O 3.33Å; M14-K72 VanDerWaalsContact CB-O 3.26Å; M14-K72 WeakPolarHBondContact CB-O 3.39Å; M14-F74 WeakPolarHBondContact CG-O 3.39Å; M14-I75 HydrophobicContact CE-CB 4.35Å; M14-I75 HydrophobicContact CE-CG2 4.19Å; M14-I75 HydrophobicContact CG-CB 4.38Å; M14-I75 HydrophobicContact SD-CB 3.81Å; M14-I75 HydrophobicContact SD-CD1 4.31Å; M14-I75 HydrophobicContact SD-CG2 4.02Å
15	S	98.3	Very high	96.5	Very high	63 Å²	63	62 Å²	62	44%	0.441	33%	0.33	S	S	.	.			trans	-68.7	152.5	178.2	61.5	0	0	0	0	112.6	D17 M18 Q19	S15-D17 VanDerWaalsContact C-N 3.26Å; S15-D17 PolarHBondContact O-N 3.35Å; S15-M18 PolarHBondContact O-N 3.41Å; S15-M18 WeakPolarHBondContact OG-CB 3.46Å; S15-M18 PolarHBondContact OG-N 2.85Å; S15-Q19 WeakPolarHBondContact O-CG 3.35Å; S15-Q19 PolarHBondContact O-N 3.13Å
16	D	98.2	Very high	97.7	Very high	126 Å²	126	59.5 Å²	59.5	67%	0.674	32%	0.319	S	S	*	.	H	α-helix	trans	-56.5	-39.8	178.7	-64.4	-17.6	0	0	0	112.4	M18 Q19 Q20	D16-M18 VanDerWaalsContact C-N 3.32Å; D16-M18 PolarHBondContact O-N 3.47Å; D16-Q19 WeakPolarHBondContact O-CB 3.31Å; D16-Q19 PolarHBondContact O-N 2.84Å; D16-Q19 PolarHBondContact OD1-NE2 2.9Å; D16-Q20 PolarHBondContact O-N 3.25Å
17	D	98.4	Very high	98.1	Very high	129 Å²	129	53.3 Å²	53.3	69%	0.69	30%	0.295	S	S	*	.	H	α-helix	trans	-60.1	-42.2	174.8	-66.1	-19.8	0	0	0	111.8	S15 Q20 D21	S15-D17 VanDerWaalsContact C-N 3.26Å; S15-D17 PolarHBondContact O-N 3.35Å; D17-Q20 PolarHBondContact O-N 3.04Å; D17-D21 WeakPolarHBondContact O-CB 3.44Å; D17-D21 PolarHBondContact O-N 3.46Å
18	M	98.6	Very high	98.1	Very high	23 Å²	23	56.4 Å²	56.4	11%	0.113	31%	0.305	C	S	.	.	H	α-helix	trans	-72.1	-32.5	178.5	-165.7	179.2	-62.9	0	0	111.6	M14 S15 D16 D21 A22 F47 Y51 W55	M14-M18 HydrophobicContact CB-CB 4.41Å; M14-M18 HydrophobicContact CB-SD 4.18Å; M14-M18 HydrophobicContact CE-CB 4.36Å; M14-M18 HydrophobicContact CE-CG 3.62Å; M14-M18 HydrophobicContact CE-SD 3.45Å; M14-M18 WeakPolarHBondContact CE-SD 3.44Å; M14-M18 HydrophobicContact SD-CB 3.97Å; M14-M18 HydrophobicContact SD-CG 3.83Å; M14-M18 HydrophobicContact SD-SD 4.28Å; S15-M18 PolarHBondContact O-N 3.41Å; S15-M18 WeakPolarHBondContact OG-CB 3.46Å; S15-M18 PolarHBondContact OG-N 2.85Å; D16-M18 VanDerWaalsContact C-N 3.32Å; D16-M18 PolarHBondContact O-N 3.47Å; M18-D21 PolarHBondContact O-N 3.04Å; M18-A22 PolarHBondContact O-N 3.48Å; M18-F47 HydrophobicContact CG-CE1 4.12Å; M18-Y51 HydrophobicContact CE-CD1 3.69Å; M18-Y51 HydrophobicContact CE-CE1 3.76Å; M18-Y51 HydrophobicContact CE-CG 4.28Å; M18-Y51 HydrophobicContact CG-CE1 4.2Å; M18-Y51 HydrophobicContact CG-CE2 4.18Å; M18-Y51 HydrophobicContact SD-CD1 4.49Å; M18-W55 HydrophobicContact SD-CH2 3.78Å; M18-W55 HydrophobicContact SD-CZ2 4.19Å
19	Q	98.7	Very high	98.1	Very high	37 Å²	37	53.2 Å²	53.2	17%	0.173	29%	0.286	C	S	.	.	H	α-helix	trans	-64.4	-44.9	172.3	-64.4	179.7	47.1	0	0	111	A12 M14 S15 D16 D21 A22 V23 I75	A12-Q19 HydrophobicContact CB-CG 4.21Å; M14-Q19 HydrophobicContact CG-CG 3.53Å; M14-Q19 PolarHBondContact O-NE2 3.01Å; M14-Q19 VanDerWaalsContact O-NE2 3.16Å; M14-Q19 HydrophobicContact SD-CB 4.32Å; M14-Q19 HydrophobicContact SD-CG 3.69Å; S15-Q19 WeakPolarHBondContact O-CG 3.35Å; S15-Q19 PolarHBondContact O-N 3.13Å; D16-Q19 WeakPolarHBondContact O-CB 3.31Å; D16-Q19 PolarHBondContact O-N 2.84Å; D16-Q19 PolarHBondContact OD1-NE2 2.9Å; Q19-D21 VanDerWaalsContact C-N 3.34Å; Q19-A22 WeakPolarHBondContact O-CB 3.44Å; Q19-A22 PolarHBondContact O-N 3.42Å; Q19-V23 WeakPolarHBondContact O-CG2 3.45Å; Q19-V23 PolarHBondContact O-N 2.82Å; Q19-I75 HydrophobicContact CB-CD1 3.81Å; Q19-I75 HydrophobicContact CG-CD1 3.84Å
20	Q	98.2	Very high	98	Very high	98 Å²	98	52.4 Å²	52.4	46%	0.458	28%	0.279	S	S	.	.	H	α-helix	trans	-63	-42.7	176.8	-171.5	59.1	52.6	0	0	111.1	D16 D17 A22 V23 D24	D16-Q20 PolarHBondContact O-N 3.25Å; D17-Q20 PolarHBondContact O-N 3.04Å; Q20-A22 VanDerWaalsContact C-N 3.28Å; Q20-A22 PolarHBondContact O-N 2.88Å; Q20-V23 PolarHBondContact O-N 3.21Å; Q20-D24 PolarHBondContact NE2-OD1 3.46Å; Q20-D24 PolarHBondContact NE2-OD2 2.87Å; Q20-D24 WeakPolarHBondContact O-CB 3.46Å; Q20-D24 VanDerWaalsContact O-CG 3.3Å; Q20-D24 PolarHBondContact O-N 2.96Å
21	D	98.5	Very high	97.9	Very high	51 Å²	51	53 Å²	53	27%	0.273	28%	0.284	S	S	.	.	H	α-helix	trans	-59.6	-37.2	173.9	-82.1	-46.7	0	0	0	112.4	D17 M18 Q19 C25 F47 K50 Y51	D17-D21 WeakPolarHBondContact O-CB 3.44Å; D17-D21 PolarHBondContact O-N 3.46Å; M18-D21 PolarHBondContact O-N 3.04Å; Q19-D21 VanDerWaalsContact C-N 3.34Å; D21-C25 WeakPolarHBondContact O-CB 3.47Å; D21-C25 PolarHBondContact O-N 2.98Å; D21-F47 HydrophobicContact CB-CZ 4.41Å; D21-K50 IonicContact OD1-NZ 2.71Å; D21-K50 PolarHBondContact OD1-NZ 3.39Å; D21-K50 IonicContact OD2-NZ 2.59Å; D21-K50 PolarHBondContact OD2-NZ 3.39Å; D21-Y51 WeakPolarHBondContact CB-OH 3.48Å; D21-Y51 PolarHBondContact OD2-OH 3.28Å
22	A	98.7	Very high	97.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-68	-42.7	176.3	0	0	0	0	0	111.9	M18 Q19 Q20 A26 F47 I75 F77 L86	M18-A22 PolarHBondContact O-N 3.48Å; Q19-A22 WeakPolarHBondContact O-CB 3.44Å; Q19-A22 PolarHBondContact O-N 3.42Å; Q20-A22 VanDerWaalsContact C-N 3.28Å; Q20-A22 PolarHBondContact O-N 2.88Å; A22-A26 WeakPolarHBondContact O-CB 3.45Å; A22-A26 PolarHBondContact O-N 3.48Å; A22-F47 HydrophobicContact CB-CE1 4.29Å; A22-F47 HydrophobicContact CB-CE2 4.18Å; A22-F47 HydrophobicContact CB-CZ 3.55Å; A22-I75 HydrophobicContact CB-CD1 4.25Å; A22-I75 HydrophobicContact CB-CG2 3.96Å; A22-F77 HydrophobicContact CB-CE1 4.26Å; A22-L86 HydrophobicContact CB-CD2 3.93Å
23	V	98.2	Very high	97.8	Very high	16 Å²	16	57.2 Å²	57.2	10%	0.097	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-48	176.5	166.4	0	0	0	0	110.8	A7 Q19 Q20 C25 A26 A27 F77 M79	A7-V23 HydrophobicContact CB-CB 4.22Å; A7-V23 HydrophobicContact CB-CG1 3.6Å; A7-V23 HydrophobicContact CB-CG2 3.53Å; Q19-V23 WeakPolarHBondContact O-CG2 3.45Å; Q19-V23 PolarHBondContact O-N 2.82Å; Q20-V23 PolarHBondContact O-N 3.21Å; V23-C25 PolarHBondContact O-N 2.9Å; V23-A26 PolarHBondContact O-N 3.16Å; V23-A27 PolarHBondContact O-N 3.18Å; V23-F77 HydrophobicContact CG2-CD2 4.27Å; V23-F77 HydrophobicContact CG2-CE2 4.13Å; V23-F77 HydrophobicContact CG2-CZ 4.32Å; V23-M79 HydrophobicContact CG1-CE 3.68Å; V23-M79 WeakPolarHBondContact O-CE 3.41Å
24	D	97.6	Very high	97.6	Very high	58 Å²	58	59.9 Å²	59.9	31%	0.31	31%	0.312	S	S	.	.	H	α-helix	trans	-66.7	-38.9	-179.6	-68.8	-16.9	0	0	0	111.5	Q20 A27 Q28	Q20-D24 PolarHBondContact NE2-OD1 3.46Å; Q20-D24 PolarHBondContact NE2-OD2 2.87Å; Q20-D24 WeakPolarHBondContact O-CB 3.46Å; Q20-D24 VanDerWaalsContact O-CG 3.3Å; Q20-D24 PolarHBondContact O-N 2.96Å; D24-A27 PolarHBondContact O-N 3.35Å; D24-Q28 VanDerWaalsContact O-CG 3.32Å; D24-Q28 WeakPolarHBondContact O-CG 3.14Å; D24-Q28 PolarHBondContact O-N 3.27Å
25	C	98.4	Very high	97.5	Very high	12 Å²	12	62.5 Å²	62.5	8%	0.081	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-43	174.5	-170.8	0	0	0	0	111.5	D21 V23 Q28 A29 F47	D21-C25 WeakPolarHBondContact O-CB 3.47Å; D21-C25 PolarHBondContact O-N 2.98Å; V23-C25 PolarHBondContact O-N 2.9Å; C25-Q28 PolarHBondContact O-N 2.88Å; C25-A29 WeakPolarHBondContact O-CB 3.32Å; C25-A29 PolarHBondContact O-N 3.22Å; C25-F47 HydrophobicContact CB-CE2 3.99Å
26	A	98.2	Very high	97.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.6	-39.7	176.4	0	0	0	0	0	112.7	A22 V23 A29 L30 I43 F77 M79 V84	A22-A26 WeakPolarHBondContact O-CB 3.45Å; A22-A26 PolarHBondContact O-N 3.48Å; V23-A26 PolarHBondContact O-N 3.16Å; A26-A29 WeakPolarHBondContact O-CB 3.4Å; A26-A29 PolarHBondContact O-N 3.04Å; A26-L30 WeakPolarHBondContact O-CB 3.4Å; A26-L30 VanDerWaalsContact O-CG 3.31Å; A26-L30 WeakPolarHBondContact O-CG 3.49Å; A26-L30 PolarHBondContact O-N 3.43Å; A26-I43 HydrophobicContact CB-CD1 3.81Å; A26-F77 HydrophobicContact CB-CE2 3.88Å; A26-F77 HydrophobicContact CB-CZ 3.6Å; A26-M79 HydrophobicContact CB-SD 3.87Å; A26-V84 HydrophobicContact CB-CG2 4.32Å
27	A	96.8	Very high	97.5	Very high	17 Å²	17	63.9 Å²	63.9	14%	0.14	32%	0.323	C	S	.	.	H	α-helix	trans	-57.8	-49.6	173.4	0	0	0	0	0	111	V23 D24 A29 L30 E31 M79	V23-A27 PolarHBondContact O-N 3.18Å; D24-A27 PolarHBondContact O-N 3.35Å; A27-A29 VanDerWaalsContact C-N 3.28Å; A27-A29 PolarHBondContact O-N 2.96Å; A27-L30 PolarHBondContact O-N 2.82Å; A27-E31 WeakPolarHBondContact O-CG 3.4Å; A27-E31 PolarHBondContact O-N 2.85Å; A27-M79 HydrophobicContact CB-CE 3.76Å; A27-M79 HydrophobicContact CB-SD 4.5Å
28	Q	96.9	Very high	97.5	Very high	91 Å²	91	60.6 Å²	60.6	43%	0.425	31%	0.305	S	S	.	.	H	α-helix	trans	-61.4	-37.2	176.9	-70.5	175.1	48.6	0	0	112.6	D24 C25 K32 F42	D24-Q28 VanDerWaalsContact O-CG 3.32Å; D24-Q28 WeakPolarHBondContact O-CG 3.14Å; D24-Q28 PolarHBondContact O-N 3.27Å; C25-Q28 PolarHBondContact O-N 2.88Å; Q28-K32 WeakPolarHBondContact O-CG 3.33Å; Q28-K32 PolarHBondContact O-N 2.94Å; Q28-F42 HydrophobicContact CB-CE1 4.38Å
29	A	97.6	Very high	97.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66.9	-43.2	177.8	0	0	0	0	0	111.5	C25 A26 A27 E31 K32 Y33 I39 F42 I43	C25-A29 WeakPolarHBondContact O-CB 3.32Å; C25-A29 PolarHBondContact O-N 3.22Å; A26-A29 WeakPolarHBondContact O-CB 3.4Å; A26-A29 PolarHBondContact O-N 3.04Å; A27-A29 VanDerWaalsContact C-N 3.28Å; A27-A29 PolarHBondContact O-N 2.96Å; A29-E31 VanDerWaalsContact C-N 3.31Å; A29-E31 PolarHBondContact O-N 2.79Å; A29-K32 PolarHBondContact O-N 3.22Å; A29-Y33 WeakPolarHBondContact O-CD2 3.34Å; A29-Y33 PolarHBondContact O-N 3.42Å; A29-I39 HydrophobicContact CB-CB 4.42Å; A29-I39 HydrophobicContact CB-CG2 3.66Å; A29-F42 HydrophobicContact CB-CB 4.33Å; A29-F42 HydrophobicContact CB-CD1 3.57Å; A29-F42 HydrophobicContact CB-CE1 4.23Å; A29-F42 HydrophobicContact CB-CG 4.22Å; A29-I43 HydrophobicContact CB-CD1 4.25Å; A29-I43 HydrophobicContact CB-CG1 3.89Å
30	L	95.7	Very high	97.5	Very high	47 Å²	47	58.7 Å²	58.7	25%	0.246	30%	0.298	C	S	.	.	H	α-helix	trans	-66.6	-30.1	178.1	-74	164.5	0	0	0	112.8	A26 A27 I39 M79	A26-L30 WeakPolarHBondContact O-CB 3.4Å; A26-L30 VanDerWaalsContact O-CG 3.31Å; A26-L30 WeakPolarHBondContact O-CG 3.49Å; A26-L30 PolarHBondContact O-N 3.43Å; A27-L30 PolarHBondContact O-N 2.82Å; L30-I39 HydrophobicContact CD2-CD1 3.75Å; L30-I39 HydrophobicContact CD2-CG2 4.45Å; L30-I39 HydrophobicContact CG-CG2 4.46Å; L30-M79 HydrophobicContact CD1-CB 3.85Å; L30-M79 HydrophobicContact CD1-CG 4.45Å; L30-M79 HydrophobicContact CD1-SD 3.76Å
31	E	95.2	Very high	97.6	Very high	140 Å²	140	55.9 Å²	55.9	65%	0.654	29%	0.289	S	S	*	.	H	α-helix	trans	-72.2	-32.8	173	-73.2	177.9	179.4	0	0	112.7	A27 A29	A27-E31 WeakPolarHBondContact O-CG 3.4Å; A27-E31 PolarHBondContact O-N 2.85Å; A29-E31 VanDerWaalsContact C-N 3.31Å; A29-E31 PolarHBondContact O-N 2.79Å
32	K	96.6	Very high	97.6	Very high	126 Å²	126	54.9 Å²	54.9	55%	0.548	28%	0.283	S	S	.	.	H	α-helix	trans	-91.7	-29.8	-174	-72	173.8	-176.1	170.6	0	114.1	Q28 A29	Q28-K32 WeakPolarHBondContact O-CG 3.33Å; Q28-K32 PolarHBondContact O-N 2.94Å; A29-K32 PolarHBondContact O-N 3.22Å
33	Y	97.2	Very high	97.6	Very high	93 Å²	93	54.9 Å²	54.9	37%	0.365	28%	0.283	S	S	.	.			trans	-130.6	140.7	-169.5	-55	-72.9	0	0	0	111.2	A29 D38 F42	A29-Y33 WeakPolarHBondContact O-CD2 3.34Å; A29-Y33 PolarHBondContact O-N 3.42Å; Y33-D38 HydrophobicContact CD1-CB 3.99Å; Y33-D38 HydrophobicContact CG-CB 4.14Å; Y33-F42 HydrophobicContact CD2-CB 4.19Å; Y33-F42 HydrophobicContact CD2-CG 4.49Å; Y33-F42 HydrophobicContact CE2-CB 3.69Å; Y33-F42 AromaticContact CE2-CD2 3.62Å; Y33-F42 HydrophobicContact CE2-CD2 3.62Å; Y33-F42 HydrophobicContact CE2-CE2 4.46Å; Y33-F42 AromaticContact CE2-CG 3.76Å; Y33-F42 HydrophobicContact CE2-CG 3.76Å
34	S	94.7	Very high	97.6	Very high	113 Å²	113	57 Å²	57	79%	0.79	29%	0.29	S	S	*	.	S	Bend	trans	-100.8	-16.6	176.4	56.5	0	0	0	0	113.6
35	V	97.5	Very high	97.7	Very high	72 Å²	72	60.2 Å²	60.2	44%	0.436	30%	0.302	S	S	.	.	S	Bend	trans	-96.5	123.9	-177.8	179.8	0	0	0	0	109.7	K37 D38 I39	V35-K37 HydrophobicContact CG1-CB 4.12Å; V35-K37 PolarHBondContact O-N 3.22Å; V35-K37 VanDerWaalsContact O-N 3.16Å; V35-D38 HydrophobicContact CB-CB 4.37Å; V35-D38 PolarHBondContact O-N 3.25Å; V35-I39 WeakPolarHBondContact O-CG1 3.42Å; V35-I39 PolarHBondContact O-N 2.92Å; V35-I39 VanDerWaalsContact O-N 3.08Å
36	E	97.9	Very high	97.7	Very high	68 Å²	68	63.3 Å²	63.3	32%	0.318	32%	0.315	S	S	.	.	H	α-helix	trans	-51	-41.9	-177.8	-67.3	173.1	164.9	0	0	112.8	D38 I39 A40 V59 R61	E36-D38 VanDerWaalsContact C-N 3.33Å; E36-D38 PolarHBondContact O-N 2.96Å; E36-I39 PolarHBondContact O-N 2.92Å; E36-A40 WeakPolarHBondContact O-CB 3.37Å; E36-A40 PolarHBondContact O-N 2.83Å; E36-V59 HydrophobicContact CB-CB 4.39Å; E36-V59 HydrophobicContact CB-CG1 4.23Å; E36-V59 HydrophobicContact CG-CG1 4.29Å; E36-R61 PolarHBondContact OE1-N 3.34Å; E36-R61 IonicContact OE1-NH1 3.41Å; E36-R61 PolarHBondContact OE1-NH1 2.85Å
37	K	98.3	Very high	97.7	Very high	151 Å²	151	63.6 Å²	63.6	66%	0.657	32%	0.316	S	S	*	.	H	α-helix	trans	-59.6	-40.8	176.3	-171	-156.2	66	160.6	0	112.7	V35 S41	V35-K37 HydrophobicContact CG1-CB 4.12Å; V35-K37 PolarHBondContact O-N 3.22Å; V35-K37 VanDerWaalsContact O-N 3.16Å; K37-S41 WeakPolarHBondContact O-CB 3.48Å; K37-S41 PolarHBondContact O-N 2.86Å
38	D	98.6	Very high	97.8	Very high	60 Å²	60	64.2 Å²	64.2	32%	0.321	32%	0.317	S	S	.	.	H	α-helix	trans	-76.7	-36.3	-176.7	-62.3	-26.5	0	0	0	110.7	Y33 V35 E36 S41 F42	Y33-D38 HydrophobicContact CD1-CB 3.99Å; Y33-D38 HydrophobicContact CG-CB 4.14Å; V35-D38 HydrophobicContact CB-CB 4.37Å; V35-D38 PolarHBondContact O-N 3.25Å; E36-D38 VanDerWaalsContact C-N 3.33Å; E36-D38 PolarHBondContact O-N 2.96Å; D38-S41 PolarHBondContact O-N 2.92Å; D38-F42 PolarHBondContact O-N 3.16Å
39	I	98.6	Very high	97.9	Very high	6 Å²	6	67.8 Å²	67.8	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-58	-53	170.1	-60.6	163	0	0	0	109.9	A29 L30 V35 E36 S41 F42 I43 V59	A29-I39 HydrophobicContact CB-CB 4.42Å; A29-I39 HydrophobicContact CB-CG2 3.66Å; L30-I39 HydrophobicContact CD2-CD1 3.75Å; L30-I39 HydrophobicContact CD2-CG2 4.45Å; L30-I39 HydrophobicContact CG-CG2 4.46Å; V35-I39 WeakPolarHBondContact O-CG1 3.42Å; V35-I39 PolarHBondContact O-N 2.92Å; V35-I39 VanDerWaalsContact O-N 3.08Å; E36-I39 PolarHBondContact O-N 2.92Å; I39-S41 VanDerWaalsContact C-N 3.31Å; I39-S41 PolarHBondContact O-N 3.4Å; I39-F42 PolarHBondContact O-N 3.4Å; I39-I43 HydrophobicContact CG2-CD1 3.94Å; I39-I43 WeakPolarHBondContact O-CG1 3.42Å; I39-I43 PolarHBondContact O-N 2.94Å; I39-I43 VanDerWaalsContact O-N 3.09Å; I39-V59 HydrophobicContact CB-CG1 4.36Å; I39-V59 HydrophobicContact CB-CG2 4.4Å; I39-V59 HydrophobicContact CG2-CG1 4.09Å; I39-V59 HydrophobicContact CG2-CG2 3.93Å
40	A	98.8	Very high	97.9	Very high	13 Å²	13	73.4 Å²	73.4	11%	0.107	36%	0.356	C	S	.	.	H	α-helix	trans	-59.4	-41.7	178.5	0	0	0	0	0	112	E36 F42 I43 K44 C57 V59	E36-A40 WeakPolarHBondContact O-CB 3.37Å; E36-A40 PolarHBondContact O-N 2.83Å; A40-F42 VanDerWaalsContact C-N 3.35Å; A40-F42 PolarHBondContact O-N 2.9Å; A40-I43 PolarHBondContact O-N 3.39Å; A40-K44 VanDerWaalsContact O-CB 3.26Å; A40-K44 WeakPolarHBondContact O-CB 3.29Å; A40-K44 PolarHBondContact O-N 3.46Å; A40-C57 HydrophobicContact CB-CB 4.3Å; A40-V59 HydrophobicContact CB-CB 4.18Å; A40-V59 HydrophobicContact CB-CG2 3.74Å
41	S	98.8	Very high	98.1	Very high	40 Å²	40	73 Å²	73	28%	0.28	35%	0.351	S	S	.	.	H	α-helix	trans	-62.7	-40.5	177.7	-168.9	0	0	0	0	112.2	K37 D38 I39 K45	K37-S41 WeakPolarHBondContact O-CB 3.48Å; K37-S41 PolarHBondContact O-N 2.86Å; D38-S41 PolarHBondContact O-N 2.92Å; I39-S41 VanDerWaalsContact C-N 3.31Å; I39-S41 PolarHBondContact O-N 3.4Å; S41-K45 WeakPolarHBondContact O-CB 3.45Å; S41-K45 WeakPolarHBondContact O-CD 3.26Å; S41-K45 VanDerWaalsContact O-CG 3.24Å; S41-K45 WeakPolarHBondContact O-CG 3.45Å; S41-K45 PolarHBondContact O-N 2.92Å; S41-K45 VanDerWaalsContact O-N 3.12Å; S41-K45 WeakPolarHBondContact OG-CE 3.44Å; S41-K45 PolarHBondContact OG-NZ 3.08Å
42	F	98.9	Very high	98.2	Very high	29 Å²	29	71.7 Å²	71.7	13%	0.127	35%	0.349	C	S	.	.	H	α-helix	trans	-63.1	-53	176.9	178.7	-89.5	0	0	0	111.3	Q28 A29 Y33 D38 I39 A40 K44 K45 E46	Q28-F42 HydrophobicContact CB-CE1 4.38Å; A29-F42 HydrophobicContact CB-CB 4.33Å; A29-F42 HydrophobicContact CB-CD1 3.57Å; A29-F42 HydrophobicContact CB-CE1 4.23Å; A29-F42 HydrophobicContact CB-CG 4.22Å; Y33-F42 HydrophobicContact CD2-CB 4.19Å; Y33-F42 HydrophobicContact CD2-CG 4.49Å; Y33-F42 HydrophobicContact CE2-CB 3.69Å; Y33-F42 AromaticContact CE2-CD2 3.62Å; Y33-F42 HydrophobicContact CE2-CD2 3.62Å; Y33-F42 HydrophobicContact CE2-CE2 4.46Å; Y33-F42 AromaticContact CE2-CG 3.76Å; Y33-F42 HydrophobicContact CE2-CG 3.76Å; D38-F42 PolarHBondContact O-N 3.16Å; I39-F42 PolarHBondContact O-N 3.4Å; A40-F42 VanDerWaalsContact C-N 3.35Å; A40-F42 PolarHBondContact O-N 2.9Å; F42-K44 VanDerWaalsContact C-N 3.35Å; F42-K44 PolarHBondContact O-N 3.42Å; F42-K45 PolarHBondContact O-N 2.59Å; F42-E46 HydrophobicContact CD1-CG 4.37Å; F42-E46 HydrophobicContact CE1-CG 3.97Å; F42-E46 HydrophobicContact CE2-CG 4.28Å; F42-E46 HydrophobicContact CZ-CG 3.91Å; F42-E46 PolarHBondContact O-N 2.71Å
43	I	98.9	Very high	98.3	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-59.1	-48.2	-177.8	-61.2	165.9	0	0	0	110.4	A26 A29 I39 A40 K45 E46 F47 V59 V84 L86	A26-I43 HydrophobicContact CB-CD1 3.81Å; A29-I43 HydrophobicContact CB-CD1 4.25Å; A29-I43 HydrophobicContact CB-CG1 3.89Å; I39-I43 HydrophobicContact CG2-CD1 3.94Å; I39-I43 WeakPolarHBondContact O-CG1 3.42Å; I39-I43 PolarHBondContact O-N 2.94Å; I39-I43 VanDerWaalsContact O-N 3.09Å; A40-I43 PolarHBondContact O-N 3.39Å; I43-K45 PolarHBondContact O-N 2.74Å; I43-E46 PolarHBondContact O-N 2.99Å; I43-F47 HydrophobicContact CG2-CD2 4.23Å; I43-F47 WeakPolarHBondContact O-CB 3.35Å; I43-F47 PolarHBondContact O-N 2.82Å; I43-V59 HydrophobicContact CD1-CG2 4.28Å; I43-V84 HydrophobicContact CD1-CG1 4.08Å; I43-L86 HydrophobicContact CG2-CD1 3.97Å; I43-L86 HydrophobicContact CG2-CD2 3.8Å; I43-L86 HydrophobicContact CG2-CG 4.44Å
44	K	98.8	Very high	98.3	Very high	60 Å²	60	67.7 Å²	67.7	26%	0.261	35%	0.346	S	S	.	.	H	α-helix	trans	-54.7	-48.7	177.3	-173.8	-135.5	-176.9	-53.9	0	112	A40 F42 F47 D48 W55 C57	A40-K44 VanDerWaalsContact O-CB 3.26Å; A40-K44 WeakPolarHBondContact O-CB 3.29Å; A40-K44 PolarHBondContact O-N 3.46Å; F42-K44 VanDerWaalsContact C-N 3.35Å; F42-K44 PolarHBondContact O-N 3.42Å; K44-F47 PolarHBondContact O-N 3.39Å; K44-D48 IonicContact NZ-OD1 3.96Å; K44-D48 PolarHBondContact NZ-OD1 2.87Å; K44-D48 IonicContact NZ-OD2 2.74Å; K44-D48 PolarHBondContact NZ-OD2 2.93Å; K44-D48 WeakPolarHBondContact O-CB 3.43Å; K44-D48 PolarHBondContact O-N 3.09Å; K44-W55 WeakPolarHBondContact CE-O 3.21Å; K44-W55 HydrophobicContact CG-CB 4.38Å; K44-W55 WeakPolarHBondContact CG-O 3.29Å; K44-W55 PolarHBondContact NZ-O 3.2Å; K44-C57 HydrophobicContact CB-CB 4.04Å
45	K	98.8	Very high	98.5	Very high	127 Å²	127	62.3 Å²	62.3	55%	0.552	31%	0.308	S	S	*	.	H	α-helix	trans	-65.6	-41.7	-177.6	-77	169.7	178.9	164.3	0	112.4	S41 F42 I43 F47 K49	S41-K45 WeakPolarHBondContact O-CB 3.45Å; S41-K45 WeakPolarHBondContact O-CD 3.26Å; S41-K45 VanDerWaalsContact O-CG 3.24Å; S41-K45 WeakPolarHBondContact O-CG 3.45Å; S41-K45 PolarHBondContact O-N 2.92Å; S41-K45 VanDerWaalsContact O-N 3.12Å; S41-K45 WeakPolarHBondContact OG-CE 3.44Å; S41-K45 PolarHBondContact OG-NZ 3.08Å; F42-K45 PolarHBondContact O-N 2.59Å; I43-K45 PolarHBondContact O-N 2.74Å; K45-F47 VanDerWaalsContact C-N 3.34Å; K45-K49 WeakPolarHBondContact O-CB 3.47Å; K45-K49 PolarHBondContact O-N 2.99Å
46	E	98.8	Very high	98.6	Very high	77 Å²	77	62.1 Å²	62.1	36%	0.36	30%	0.303	S	S	.	.	H	α-helix	trans	-66.1	-39.6	177.1	-71.8	-58.3	122.8	0	0	111.3	F42 I43 K49 K50	F42-E46 HydrophobicContact CD1-CG 4.37Å; F42-E46 HydrophobicContact CE1-CG 3.97Å; F42-E46 HydrophobicContact CE2-CG 4.28Å; F42-E46 HydrophobicContact CZ-CG 3.91Å; F42-E46 PolarHBondContact O-N 2.71Å; I43-E46 PolarHBondContact O-N 2.99Å; E46-K49 PolarHBondContact O-N 3.36Å; E46-K50 WeakPolarHBondContact O-CB 3.2Å; E46-K50 PolarHBondContact O-N 3.03Å
47	F	98.8	Very high	98.6	Very high	5 Å²	5	60 Å²	60	2%	0.022	30%	0.295	C	S	.	.	H	α-helix	trans	-69.8	-40	176.8	-94	-108.6	0	0	0	113.3	M18 D21 A22 C25 I43 K44 K45 K49 K50 Y51 W55 L86	M18-F47 HydrophobicContact CG-CE1 4.12Å; D21-F47 HydrophobicContact CB-CZ 4.41Å; A22-F47 HydrophobicContact CB-CE1 4.29Å; A22-F47 HydrophobicContact CB-CE2 4.18Å; A22-F47 HydrophobicContact CB-CZ 3.55Å; C25-F47 HydrophobicContact CB-CE2 3.99Å; I43-F47 HydrophobicContact CG2-CD2 4.23Å; I43-F47 WeakPolarHBondContact O-CB 3.35Å; I43-F47 PolarHBondContact O-N 2.82Å; K44-F47 PolarHBondContact O-N 3.39Å; K45-F47 VanDerWaalsContact C-N 3.34Å; F47-K49 VanDerWaalsContact C-N 3.27Å; F47-K49 PolarHBondContact O-N 3.48Å; F47-K50 PolarHBondContact O-N 3.2Å; F47-Y51 HydrophobicContact CB-CD2 4.48Å; F47-Y51 AromaticContact CD1-CD2 3.5Å; F47-Y51 HydrophobicContact CD1-CD2 3.5Å; F47-Y51 AromaticContact CD1-CE2 3.78Å; F47-Y51 HydrophobicContact CD1-CE2 3.78Å; F47-Y51 AromaticContact CE1-CD2 3.73Å; F47-Y51 HydrophobicContact CE1-CD2 3.73Å; F47-Y51 AromaticContact CE1-CE2 3.53Å; F47-Y51 HydrophobicContact CE1-CE2 3.53Å; F47-Y51 HydrophobicContact CE2-CE2 4.37Å; F47-Y51 HydrophobicContact CG-CD2 4.04Å; F47-Y51 HydrophobicContact CG-CE2 4.3Å; F47-Y51 HydrophobicContact CZ-CD2 4.4Å; F47-Y51 AromaticContact CZ-CE2 3.83Å; F47-Y51 HydrophobicContact CZ-CE2 3.83Å; F47-Y51 PolarHBondContact O-N 2.93Å; F47-W55 VanDerWaalsContact C-CD1 3.42Å; F47-W55 HydrophobicContact CB-CB 4.15Å; F47-W55 HydrophobicContact CB-CD2 3.76Å; F47-W55 HydrophobicContact CB-CE3 4.29Å; F47-W55 HydrophobicContact CB-CG 3.67Å; F47-W55 AromaticContact CD1-CD2 3.79Å; F47-W55 HydrophobicContact CD1-CD2 3.79Å; F47-W55 AromaticContact CD1-CE2 3.75Å; F47-W55 AromaticContact CD1-CE3 3.73Å; F47-W55 HydrophobicContact CD1-CE3 3.73Å; F47-W55 AromaticContact CD1-CH2 3.61Å; F47-W55 HydrophobicContact CD1-CH2 3.61Å; F47-W55 AromaticContact CD1-CZ2 3.66Å; F47-W55 HydrophobicContact CD1-CZ2 3.66Å; F47-W55 AromaticContact CD1-CZ3 3.65Å; F47-W55 HydrophobicContact CD1-CZ3 3.65Å; F47-W55 AromaticContact CE1-CH2 3.96Å; F47-W55 HydrophobicContact CE1-CH2 3.96Å; F47-W55 HydrophobicContact CE1-CZ2 4.32Å; F47-W55 HydrophobicContact CE1-CZ3 4.11Å; F47-W55 HydrophobicContact CG-CD2 4.24Å; F47-W55 HydrophobicContact CG-CE3 4.38Å; F47-W55 PolarHBondContact O-NE1 2.96Å; F47-L86 HydrophobicContact CD1-CD2 3.62Å; F47-L86 HydrophobicContact CD1-CG 4.35Å; F47-L86 HydrophobicContact CD2-CD2 3.88Å; F47-L86 HydrophobicContact CE1-CD2 3.57Å; F47-L86 HydrophobicContact CE2-CD2 3.84Å; F47-L86 HydrophobicContact CG-CD1 4.4Å; F47-L86 HydrophobicContact CG-CD2 3.79Å; F47-L86 HydrophobicContact CZ-CD2 3.7Å
48	D	98.7	Very high	98.7	Very high	30 Å²	30	56 Å²	56	16%	0.16	28%	0.28	C	S	.	.	H	α-helix	trans	-56.3	-44.4	169.9	-78.6	-22.1	0	0	0	111.5	K44 N52 P53 W55	K44-D48 IonicContact NZ-OD1 3.96Å; K44-D48 PolarHBondContact NZ-OD1 2.87Å; K44-D48 IonicContact NZ-OD2 2.74Å; K44-D48 PolarHBondContact NZ-OD2 2.93Å; K44-D48 WeakPolarHBondContact O-CB 3.43Å; K44-D48 PolarHBondContact O-N 3.09Å; D48-N52 CarbonylContact O-C 3.34Å; D48-N52 WeakPolarHBondContact O-CA 3.08Å; D48-N52 PolarHBondContact O-N 3.01Å; D48-N52 VanDerWaalsContact O-N 3.13Å; D48-P53 HydrophobicContact CB-CG 4.17Å; D48-P53 WeakPolarHBondContact O-CD 3.47Å; D48-P53 WeakPolarHBondContact OD1-CA 3.45Å; D48-W55 WeakPolarHBondContact OD1-CB 3.34Å; D48-W55 PolarHBondContact OD1-N 3.47Å
49	K	98.6	Very high	98.7	Very high	166 Å²	166	53.8 Å²	53.8	72%	0.722	27%	0.269	S	S	*	.	H	α-helix	trans	-68.7	-41.6	-178.7	-176.6	-177.2	174.9	-170.4	0	112.2	K45 E46 F47	K45-K49 WeakPolarHBondContact O-CB 3.47Å; K45-K49 PolarHBondContact O-N 2.99Å; E46-K49 PolarHBondContact O-N 3.36Å; F47-K49 VanDerWaalsContact C-N 3.27Å; F47-K49 PolarHBondContact O-N 3.48Å
50	K	98.6	Very high	98.6	Very high	118 Å²	118	53.7 Å²	53.7	51%	0.513	27%	0.27	S	S	.	.	H	α-helix	trans	-84.9	-36.5	-174.1	-173	170.7	174.3	-179.3	0	113.4	D21 E46 F47	D21-K50 IonicContact OD1-NZ 2.71Å; D21-K50 PolarHBondContact OD1-NZ 3.39Å; D21-K50 IonicContact OD2-NZ 2.59Å; D21-K50 PolarHBondContact OD2-NZ 3.39Å; E46-K50 WeakPolarHBondContact O-CB 3.2Å; E46-K50 PolarHBondContact O-N 3.03Å; F47-K50 PolarHBondContact O-N 3.2Å
51	Y	98.4	Very high	98.5	Very high	38 Å²	38	60.3 Å²	60.3	15%	0.149	29%	0.292	C	S	.	.	H	α-helix	trans	-121.3	16.5	-171.8	-56.1	-72.4	0	0	0	114.1	M18 D21 F47 W55 K88	M18-Y51 HydrophobicContact CE-CD1 3.69Å; M18-Y51 HydrophobicContact CE-CE1 3.76Å; M18-Y51 HydrophobicContact CE-CG 4.28Å; M18-Y51 HydrophobicContact CG-CE1 4.2Å; M18-Y51 HydrophobicContact CG-CE2 4.18Å; M18-Y51 HydrophobicContact SD-CD1 4.49Å; D21-Y51 WeakPolarHBondContact CB-OH 3.48Å; D21-Y51 PolarHBondContact OD2-OH 3.28Å; F47-Y51 HydrophobicContact CB-CD2 4.48Å; F47-Y51 AromaticContact CD1-CD2 3.5Å; F47-Y51 HydrophobicContact CD1-CD2 3.5Å; F47-Y51 AromaticContact CD1-CE2 3.78Å; F47-Y51 HydrophobicContact CD1-CE2 3.78Å; F47-Y51 AromaticContact CE1-CD2 3.73Å; F47-Y51 HydrophobicContact CE1-CD2 3.73Å; F47-Y51 AromaticContact CE1-CE2 3.53Å; F47-Y51 HydrophobicContact CE1-CE2 3.53Å; F47-Y51 HydrophobicContact CE2-CE2 4.37Å; F47-Y51 HydrophobicContact CG-CD2 4.04Å; F47-Y51 HydrophobicContact CG-CE2 4.3Å; F47-Y51 HydrophobicContact CZ-CD2 4.4Å; F47-Y51 AromaticContact CZ-CE2 3.83Å; F47-Y51 HydrophobicContact CZ-CE2 3.83Å; F47-Y51 PolarHBondContact O-N 2.93Å; Y51-W55 HydrophobicContact CD2-CZ2 4.18Å; Y51-W55 HydrophobicContact CG-CZ2 4.16Å; Y51-K88 PolarHBondContact O-NZ 2.99Å
52	N	98	Very high	98.4	Very high	114 Å²	114	66 Å²	66	61%	0.61	32%	0.319	S	S	*	.			trans	64.7	144.7	-174.4	-50.2	-73	0	0	0	113.5	D48 W55 K88	D48-N52 CarbonylContact O-C 3.34Å; D48-N52 WeakPolarHBondContact O-CA 3.08Å; D48-N52 PolarHBondContact O-N 3.01Å; D48-N52 VanDerWaalsContact O-N 3.13Å; N52-W55 VanDerWaalsContact O-CD1 3.29Å; N52-W55 PolarHBondContact O-NE1 3.37Å; N52-W55 VanDerWaalsContact O-NE1 3.09Å; N52-K88 PolarHBondContact O-NZ 3.21Å
53	P	98.4	Very high	98.3	Very high	79 Å²	79	67 Å²	67	51%	0.513	32%	0.323	S	S	.	.	S	Bend	trans	-58.8	162.3	174.3	-21.9	33.1	0	0	0	113.6	D48 K88	D48-P53 HydrophobicContact CB-CG 4.17Å; D48-P53 WeakPolarHBondContact O-CD 3.47Å; D48-P53 WeakPolarHBondContact OD1-CA 3.45Å; P53-K88 WeakPolarHBondContact O-CE 3.44Å; P53-K88 PolarHBondContact O-NZ 3.03Å
54	T	98.1	Very high	98.2	Very high	55 Å²	55	70.7 Å²	70.7	34%	0.337	36%	0.361	S	S	.	.			cis	-113.8	111.6	3.7	-55.8	0	0	0	0	112	K88 S89	T54-K88 WeakPolarHBondContact O-CA 3.32Å; T54-K88 WeakPolarHBondContact O-CG 3.44Å; T54-S89 PolarHBondContact O-N 2.92Å
55	W	98.8	Very high	98.1	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	147.7	173.1	-67.3	83.1	0	0	0	111.7	M14 M18 K44 F47 D48 Y51 N52 H73 L86 F87 K88	M14-W55 HydrophobicContact CE-CH2 3.85Å; M14-W55 HydrophobicContact CE-CZ3 4.03Å; M18-W55 HydrophobicContact SD-CH2 3.78Å; M18-W55 HydrophobicContact SD-CZ2 4.19Å; K44-W55 WeakPolarHBondContact CE-O 3.21Å; K44-W55 HydrophobicContact CG-CB 4.38Å; K44-W55 WeakPolarHBondContact CG-O 3.29Å; K44-W55 PolarHBondContact NZ-O 3.2Å; F47-W55 VanDerWaalsContact C-CD1 3.42Å; F47-W55 HydrophobicContact CB-CB 4.15Å; F47-W55 HydrophobicContact CB-CD2 3.76Å; F47-W55 HydrophobicContact CB-CE3 4.29Å; F47-W55 HydrophobicContact CB-CG 3.67Å; F47-W55 AromaticContact CD1-CD2 3.79Å; F47-W55 HydrophobicContact CD1-CD2 3.79Å; F47-W55 AromaticContact CD1-CE2 3.75Å; F47-W55 AromaticContact CD1-CE3 3.73Å; F47-W55 HydrophobicContact CD1-CE3 3.73Å; F47-W55 AromaticContact CD1-CH2 3.61Å; F47-W55 HydrophobicContact CD1-CH2 3.61Å; F47-W55 AromaticContact CD1-CZ2 3.66Å; F47-W55 HydrophobicContact CD1-CZ2 3.66Å; F47-W55 AromaticContact CD1-CZ3 3.65Å; F47-W55 HydrophobicContact CD1-CZ3 3.65Å; F47-W55 AromaticContact CE1-CH2 3.96Å; F47-W55 HydrophobicContact CE1-CH2 3.96Å; F47-W55 HydrophobicContact CE1-CZ2 4.32Å; F47-W55 HydrophobicContact CE1-CZ3 4.11Å; F47-W55 HydrophobicContact CG-CD2 4.24Å; F47-W55 HydrophobicContact CG-CE3 4.38Å; F47-W55 PolarHBondContact O-NE1 2.96Å; D48-W55 WeakPolarHBondContact OD1-CB 3.34Å; D48-W55 PolarHBondContact OD1-N 3.47Å; Y51-W55 HydrophobicContact CD2-CZ2 4.18Å; Y51-W55 HydrophobicContact CG-CZ2 4.16Å; N52-W55 VanDerWaalsContact O-CD1 3.29Å; N52-W55 PolarHBondContact O-NE1 3.37Å; N52-W55 VanDerWaalsContact O-NE1 3.09Å; W55-H73 HydrophobicContact CH2-CB 3.89Å; W55-H73 AromaticContact CH2-CD2 3.88Å; W55-H73 HydrophobicContact CZ2-CB 4.4Å; W55-H73 AromaticContact CZ2-CD2 3.69Å; W55-H73 HydrophobicContact CZ3-CB 4.32Å; W55-L86 HydrophobicContact CB-CD1 4.46Å; W55-L86 HydrophobicContact CE3-CD1 3.77Å; W55-L86 HydrophobicContact CE3-CD2 4.43Å; W55-L86 HydrophobicContact CE3-CG 3.77Å; W55-L86 HydrophobicContact CZ3-CD1 4.47Å; W55-L86 HydrophobicContact CZ3-CD2 4.41Å; W55-L86 HydrophobicContact CZ3-CG 3.97Å; W55-F87 WeakPolarHBondContact CA-O 3.21Å; W55-K88 HydrophobicContact CD2-CB 4.11Å; W55-K88 HydrophobicContact CD2-CG 4.44Å; W55-K88 HydrophobicContact CE3-CB 4.18Å; W55-K88 HydrophobicContact CZ2-CB 4.45Å; W55-K88 HydrophobicContact CZ2-CD 4.42Å; W55-K88 HydrophobicContact CZ3-CB 4.39Å
56	H	98.8	Very high	98	Very high	69 Å²	69	75.7 Å²	75.7	32%	0.319	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.1	174.3	-58.2	-87.1	0	0	0	108	L86 F87 S89	H56-L86 WeakPolarHBondContact O-CA 3.35Å; H56-L86 WeakPolarHBondContact O-CD1 3.47Å; H56-F87 HydrophobicContact CB-CD1 4.04Å; H56-F87 HydrophobicContact CB-CD2 4.3Å; H56-F87 HydrophobicContact CB-CE1 3.57Å; H56-F87 HydrophobicContact CB-CE2 3.85Å; H56-F87 HydrophobicContact CB-CG 4.39Å; H56-F87 HydrophobicContact CB-CZ 3.45Å; H56-F87 VanDerWaalsContact CB-CZ 3.45Å; H56-F87 AromaticContact CD2-CE2 3.78Å; H56-F87 AromaticContact CG-CE2 3.95Å; H56-F87 AromaticContact CG-CZ 3.89Å; H56-F87 PolarHBondContact N-O 2.77Å; H56-F87 PolarHBondContact O-N 3.3Å; H56-S89 PolarHBondContact NE2-O 2.96Å
57	C	98.9	Very high	97.9	Very high	24 Å²	24	74.2 Å²	74.2	16%	0.162	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	134.6	179.6	-170.5	0	0	0	0	110.2	A40 K44 L85 L86	A40-C57 HydrophobicContact CB-CB 4.3Å; K44-C57 HydrophobicContact CB-CB 4.04Å; C57-L85 CarbonylContact C-O 3.57Å; C57-L85 VanDerWaalsContact CA-O 3.29Å; C57-L85 WeakPolarHBondContact CA-O 3.49Å; C57-L86 HydrophobicContact CB-CD1 3.94Å
58	I	98.7	Very high	97.9	Very high	66 Å²	66	79.4 Å²	79.4	34%	0.338	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.5	171.4	-50.9	-176.3	0	0	0	107.3	F63 V84 L85	I58-F63 HydrophobicContact CB-CE2 4.45Å; I58-F63 HydrophobicContact CB-CZ 4.38Å; I58-F63 HydrophobicContact CG2-CD1 4.3Å; I58-F63 HydrophobicContact CG2-CD2 4.2Å; I58-F63 HydrophobicContact CG2-CE1 4.11Å; I58-F63 HydrophobicContact CG2-CE2 4.03Å; I58-F63 HydrophobicContact CG2-CG 4.34Å; I58-F63 HydrophobicContact CG2-CZ 3.98Å; I58-V84 WeakPolarHBondContact O-CA 3.24Å; I58-L85 HydrophobicContact CB-CB 4.22Å; I58-L85 HydrophobicContact CD1-CD2 4.01Å; I58-L85 HydrophobicContact CG1-CD2 4.42Å; I58-L85 PolarHBondContact N-O 3.49Å; I58-L85 PolarHBondContact O-N 2.59Å
59	V	98.6	Very high	97.9	Very high	13 Å²	13	81 Å²	81	8%	0.079	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	132.5	174.9	178.3	0	0	0	0	107.2	E36 I39 A40 I43 V82 A83 V84	E36-V59 HydrophobicContact CB-CB 4.39Å; E36-V59 HydrophobicContact CB-CG1 4.23Å; E36-V59 HydrophobicContact CG-CG1 4.29Å; I39-V59 HydrophobicContact CB-CG1 4.36Å; I39-V59 HydrophobicContact CB-CG2 4.4Å; I39-V59 HydrophobicContact CG2-CG1 4.09Å; I39-V59 HydrophobicContact CG2-CG2 3.93Å; A40-V59 HydrophobicContact CB-CB 4.18Å; A40-V59 HydrophobicContact CB-CG2 3.74Å; I43-V59 HydrophobicContact CD1-CG2 4.28Å; V59-V82 HydrophobicContact CG1-CG1 3.41Å; V59-V82 VanDerWaalsContact CG1-CG1 3.41Å; V59-A83 WeakPolarHBondContact CA-O 3.45Å; V59-V84 HydrophobicContact CG2-CG1 4.45Å; V59-V84 HydrophobicContact CG2-CG2 4.35Å
60	G	98	Very high	97.8	Very high	5 Å²	5	76.2 Å²	76.2	5%	0.052	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.9	157.2	-180	0	0	0	0	0	113.9	A83	G60-A83 PolarHBondContact N-O 2.81Å; G60-A83 WeakPolarHBondContact O-CB 3.45Å; G60-A83 PolarHBondContact O-N 2.81Å
61	R	96.4	Very high	97.8	Very high	151 Å²	151	75.6 Å²	75.6	57%	0.57	41%	0.407	S	S	*	.	S	Bend	trans	-83.7	-21.6	175.5	-63	-178	-177.2	96.7	-7	113.7	E36 V82	E36-R61 PolarHBondContact OE1-N 3.34Å; E36-R61 IonicContact OE1-NH1 3.41Å; E36-R61 PolarHBondContact OE1-NH1 2.85Å; R61-V82 HydrophobicContact CG-CG2 4.27Å
62	N	95.6	Very high	97.8	Very high	159 Å²	159	80.7 Å²	80.7	85%	0.85	43%	0.43	S	S	*	.	S	Bend	trans	-152.8	106.6	179.8	-173.2	0.5	0	0	0	110.7
63	F	97.4	Very high	97.8	Very high	51 Å²	51	77.4 Å²	77.4	22%	0.224	41%	0.411	C	S	.	.			trans	-155.5	156.1	171.2	65	-89.6	0	0	0	110.9	I58 Y76 A83 L85	I58-F63 HydrophobicContact CB-CE2 4.45Å; I58-F63 HydrophobicContact CB-CZ 4.38Å; I58-F63 HydrophobicContact CG2-CD1 4.3Å; I58-F63 HydrophobicContact CG2-CD2 4.2Å; I58-F63 HydrophobicContact CG2-CE1 4.11Å; I58-F63 HydrophobicContact CG2-CE2 4.03Å; I58-F63 HydrophobicContact CG2-CG 4.34Å; I58-F63 HydrophobicContact CG2-CZ 3.98Å; F63-Y76 HydrophobicContact CE2-CE2 4.32Å; F63-Y76 AromaticContact CZ-CE2 4Å; F63-Y76 HydrophobicContact CZ-CE2 4Å; F63-A83 HydrophobicContact CE1-CB 3.67Å; F63-A83 HydrophobicContact CZ-CB 3.98Å; F63-L85 HydrophobicContact CE2-CB 4.16Å; F63-L85 HydrophobicContact CE2-CD2 4.38Å; F63-L85 HydrophobicContact CZ-CB 4.09Å
64	G	96.7	Very high	97.8	Very high	77 Å²	77	74.6 Å²	74.6	79%	0.794	39%	0.391	S	S	*	.			trans	-114.3	149.2	162	0	0	0	0	0	109.3
65	S	96.5	Very high	97.8	Very high	60 Å²	60	72 Å²	72	42%	0.42	38%	0.375	S	S	.	.			trans	-141	143.6	-179.1	63.3	0	0	0	0	111.4	L85	S65-L85 WeakPolarHBondContact OG-CD2 3.49Å
66	Y	97.4	Very high	97.8	Very high	232 Å²	232	74.2 Å²	74.2	91%	0.91	38%	0.384	S	S	*	.			trans	-128.4	105.9	167.6	-165.8	-85.6	0	0	0	107.5
67	V	97.1	Very high	97.8	Very high	46 Å²	46	70.9 Å²	70.9	28%	0.279	37%	0.368	S	S	.	.			trans	-130.5	145.6	-172.3	-59.1	0	0	0	0	110.8	F74 L85 F87	V67-F74 HydrophobicContact CG2-CE2 3.95Å; V67-L85 HydrophobicContact CG2-CD2 4.4Å; V67-F87 HydrophobicContact CB-CD2 4.49Å; V67-F87 HydrophobicContact CB-CE1 4.23Å; V67-F87 HydrophobicContact CB-CE2 4.02Å; V67-F87 HydrophobicContact CB-CZ 3.88Å; V67-F87 HydrophobicContact CG1-CE1 3.98Å; V67-F87 HydrophobicContact CG1-CE2 4.4Å; V67-F87 HydrophobicContact CG1-CZ 3.76Å; V67-F87 HydrophobicContact CG2-CD1 4.17Å; V67-F87 HydrophobicContact CG2-CD2 4.34Å; V67-F87 HydrophobicContact CG2-CE1 4.15Å; V67-F87 HydrophobicContact CG2-CE2 4.32Å; V67-F87 HydrophobicContact CG2-CG 4.27Å; V67-F87 HydrophobicContact CG2-CZ 4.23Å
68	T	97.8	Very high	97.8	Very high	115 Å²	115	73.3 Å²	73.3	71%	0.706	37%	0.374	S	S	*	.			trans	-95.2	139.6	166.7	-55.2	0	0	0	0	108.3
69	H	98.1	Very high	97.6	Very high	64 Å²	64	70.4 Å²	70.4	30%	0.296	36%	0.359	S	S	.	.			trans	-137.5	157.2	-179.3	58.9	-87.8	0	0	0	111.2	D13 F74 F87 K88	D13-H69 IonicContact OD2-NE2 3.49Å; H69-F74 HydrophobicContact CB-CB 4.31Å; H69-F74 HydrophobicContact CB-CD2 4.16Å; H69-F74 WeakPolarHBondContact CD2-CB 3.38Å; H69-F74 AromaticContact CD2-CG 3.95Å; H69-F74 AromaticContact CE1-CD2 3.64Å; H69-F74 AromaticContact CE1-CG 3.74Å; H69-F74 AromaticContact CG-CD2 3.64Å; H69-F74 AromaticContact CG-CG 3.98Å; H69-F74 AromaticContact ND1-CD2 3.34Å; H69-F74 VanDerWaalsContact ND1-CD2 3.34Å; H69-F74 WeakPolarHBondContact ND1-CD2 3.26Å; H69-F74 AromaticContact ND1-CE2 3.99Å; H69-F74 AromaticContact ND1-CG 3.86Å; H69-F74 WeakPolarHBondContact NE2-CB 3.34Å; H69-F74 AromaticContact NE2-CG 3.8Å; H69-F87 HydrophobicContact CB-CB 3.92Å; H69-F87 HydrophobicContact CB-CD2 4.02Å; H69-F87 HydrophobicContact CB-CG 4.39Å; H69-K88 CarbonylContact C-O 3.56Å; H69-K88 VanDerWaalsContact CA-O 3.27Å; H69-K88 WeakPolarHBondContact CA-O 3.12Å
70	E	98	Very high	97.4	Very high	64 Å²	64	72.1 Å²	72.1	30%	0.299	38%	0.38	S	S	.	.			trans	-67.8	141.6	169.4	-69.3	166.3	-133.3	0	0	110.7	H73 K88 S89 G90	E70-H73 PolarHBondContact O-N 3.32Å; E70-K88 PolarHBondContact N-O 3.13Å; E70-K88 WeakPolarHBondContact OE1-CG 3.14Å; E70-K88 VanDerWaalsContact OE2-CD 3.32Å; E70-K88 WeakPolarHBondContact OE2-CD 3.47Å; E70-K88 WeakPolarHBondContact OE2-CE 3.42Å; E70-S89 WeakPolarHBondContact OE1-CA 3.46Å; E70-G90 PolarHBondContact OE1-N 3.07Å; E70-G90 VanDerWaalsContact OE1-N 3.07Å
71	T	97.5	Very high	97.1	Very high	106 Å²	106	77 Å²	77	65%	0.65	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	141.2	179.3	-43.8	0	0	0	0	111.2	H73	T71-H73 VanDerWaalsContact C-N 3.25Å; T71-H73 PolarHBondContact O-N 2.9Å; T71-H73 PolarHBondContact O-ND1 3.39Å
72	K	98.1	Very high	97.1	Very high	145 Å²	145	70.3 Å²	70.3	63%	0.63	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	18.2	-179.6	-51.7	-171	178	179.2	0	115.4	D13 M14	D13-K72 VanDerWaalsContact CG-N 3.33Å; D13-K72 CarbonylContact O-C 3.59Å; D13-K72 WeakPolarHBondContact O-CA 3.28Å; D13-K72 PolarHBondContact OD1-N 2.87Å; D13-K72 PolarHBondContact OD2-N 2.98Å; M14-K72 WeakPolarHBondContact CA-O 3.33Å; M14-K72 VanDerWaalsContact CB-O 3.26Å; M14-K72 WeakPolarHBondContact CB-O 3.39Å
73	H	98.6	Very high	97.2	Very high	44 Å²	44	62.8 Å²	62.8	20%	0.204	34%	0.34	C	S	.	.			trans	-134.9	46.7	-180	-58.8	88.9	0	0	0	112.9	D13 W55 E70 T71 F87 K88	D13-H73 PolarHBondContact O-N 3.21Å; W55-H73 HydrophobicContact CH2-CB 3.89Å; W55-H73 AromaticContact CH2-CD2 3.88Å; W55-H73 HydrophobicContact CZ2-CB 4.4Å; W55-H73 AromaticContact CZ2-CD2 3.69Å; W55-H73 HydrophobicContact CZ3-CB 4.32Å; E70-H73 PolarHBondContact O-N 3.32Å; T71-H73 VanDerWaalsContact C-N 3.25Å; T71-H73 PolarHBondContact O-N 2.9Å; T71-H73 PolarHBondContact O-ND1 3.39Å; H73-F87 CarbonylContact O-C 3.54Å; H73-F87 WeakPolarHBondContact O-CA 3.27Å; H73-K88 HydrophobicContact CB-CB 3.43Å; H73-K88 VanDerWaalsContact CB-CB 3.43Å; H73-K88 HydrophobicContact CB-CD 4.28Å; H73-K88 HydrophobicContact CB-CG 4.49Å; H73-K88 PolarHBondContact O-N 2.79Å
74	F	98.7	Very high	97.3	Very high	20 Å²	20	60.3 Å²	60.3	9%	0.088	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	135.7	177.8	175.7	-79.6	0	0	0	112.3	N11 A12 D13 M14 V67 H69 L85 F87	N11-F74 HydrophobicContact CB-CE1 4.2Å; A12-F74 CarbonylContact C-O 2.87Å; A12-F74 WeakPolarHBondContact CA-O 3.31Å; D13-F74 CarbonylContact C-O 3.52Å; D13-F74 HydrophobicContact CB-CB 4.38Å; D13-F74 PolarHBondContact N-O 3.06Å; D13-F74 PolarHBondContact O-N 3.37Å; M14-F74 WeakPolarHBondContact CG-O 3.39Å; V67-F74 HydrophobicContact CG2-CE2 3.95Å; H69-F74 HydrophobicContact CB-CB 4.31Å; H69-F74 HydrophobicContact CB-CD2 4.16Å; H69-F74 WeakPolarHBondContact CD2-CB 3.38Å; H69-F74 AromaticContact CD2-CG 3.95Å; H69-F74 AromaticContact CE1-CD2 3.64Å; H69-F74 AromaticContact CE1-CG 3.74Å; H69-F74 AromaticContact CG-CD2 3.64Å; H69-F74 AromaticContact CG-CG 3.98Å; H69-F74 AromaticContact ND1-CD2 3.34Å; H69-F74 VanDerWaalsContact ND1-CD2 3.34Å; H69-F74 WeakPolarHBondContact ND1-CD2 3.26Å; H69-F74 AromaticContact ND1-CE2 3.99Å; H69-F74 AromaticContact ND1-CG 3.86Å; H69-F74 WeakPolarHBondContact NE2-CB 3.34Å; H69-F74 AromaticContact NE2-CG 3.8Å; F74-L85 HydrophobicContact CD2-CD1 4.36Å; F74-L85 HydrophobicContact CE1-CD1 4.46Å; F74-L85 HydrophobicContact CE2-CD1 3.48Å; F74-L85 VanDerWaalsContact CE2-CD1 3.48Å; F74-L85 HydrophobicContact CZ-CD1 3.53Å; F74-F87 HydrophobicContact CB-CB 4.4Å; F74-F87 HydrophobicContact CD2-CB 3.69Å; F74-F87 HydrophobicContact CE2-CB 4.46Å; F74-F87 HydrophobicContact CG-CB 4.43Å
75	I	98.8	Very high	97.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	140.5	169.4	-166.3	-178.3	0	0	0	111.4	V9 A12 M14 Q19 A22 F77 L86	V9-I75 HydrophobicContact CG1-CG1 4.34Å; V9-I75 HydrophobicContact CG2-CD1 4.42Å; A12-I75 HydrophobicContact CB-CG1 4.06Å; M14-I75 HydrophobicContact CE-CB 4.35Å; M14-I75 HydrophobicContact CE-CG2 4.19Å; M14-I75 HydrophobicContact CG-CB 4.38Å; M14-I75 HydrophobicContact SD-CB 3.81Å; M14-I75 HydrophobicContact SD-CD1 4.31Å; M14-I75 HydrophobicContact SD-CG2 4.02Å; Q19-I75 HydrophobicContact CB-CD1 3.81Å; Q19-I75 HydrophobicContact CG-CD1 3.84Å; A22-I75 HydrophobicContact CB-CD1 4.25Å; A22-I75 HydrophobicContact CB-CG2 3.96Å; I75-F77 HydrophobicContact CD1-CD1 3.74Å; I75-F77 HydrophobicContact CD1-CE1 4.15Å; I75-F77 HydrophobicContact CG1-CD1 3.88Å; I75-F77 HydrophobicContact CG2-CD1 4.25Å; I75-F77 HydrophobicContact CG2-CE1 4.17Å; I75-L86 HydrophobicContact CG2-CB 3.86Å; I75-L86 HydrophobicContact CG2-CD2 4.3Å; I75-L86 HydrophobicContact CG2-CG 4.46Å; I75-L86 PolarHBondContact N-O 3.27Å; I75-L86 PolarHBondContact O-N 3.12Å
76	Y	98.8	Very high	97.5	Very high	47 Å²	47	53.9 Å²	53.9	18%	0.184	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	119.1	171.9	178.9	-123.3	0	0	0	109.8	K10 N11 F63 Y78 A83 V84 L85	K10-Y76 HydrophobicContact CB-CD1 3.58Å; K10-Y76 HydrophobicContact CB-CE1 3.93Å; K10-Y76 HydrophobicContact CG-CD1 4.25Å; K10-Y76 HydrophobicContact CG-CE1 4.16Å; K10-Y76 PolarHBondContact N-O 3.43Å; N11-Y76 PolarHBondContact N-O 3.09Å; N11-Y76 VanDerWaalsContact N-O 3.13Å; N11-Y76 PolarHBondContact O-N 3.34Å; F63-Y76 HydrophobicContact CE2-CE2 4.32Å; F63-Y76 AromaticContact CZ-CE2 4Å; F63-Y76 HydrophobicContact CZ-CE2 4Å; Y76-Y78 HydrophobicContact CE1-CE2 4.02Å; Y76-Y78 AromaticContact CZ-CE2 3.72Å; Y76-Y78 VanDerWaalsContact OH-CE2 3.28Å; Y76-Y78 WeakPolarHBondContact OH-CE2 3.1Å; Y76-Y78 PolarHBondContact OH-OH 3.38Å; Y76-A83 HydrophobicContact CE2-CB 3.85Å; Y76-V84 WeakPolarHBondContact CA-O 3.49Å; Y76-V84 WeakPolarHBondContact CD2-O 3.45Å; Y76-L85 HydrophobicContact CD2-CB 4.01Å; Y76-L85 HydrophobicContact CD2-CD1 4.18Å; Y76-L85 HydrophobicContact CG-CD1 4.45Å
77	F	98.5	Very high	97.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	161.7	-177.3	65.8	-84.2	0	0	0	112.1	A7 V8 V9 A22 V23 A26 I75 M79 V84	A7-F77 HydrophobicContact CB-CD2 4.04Å; V8-F77 CarbonylContact O-C 3.59Å; V8-F77 VanDerWaalsContact O-CA 3.31Å; V8-F77 WeakPolarHBondContact O-CA 3.27Å; V8-F77 WeakPolarHBondContact O-CB 3.48Å; V9-F77 HydrophobicContact CB-CB 4.39Å; V9-F77 HydrophobicContact CG2-CB 4.13Å; A22-F77 HydrophobicContact CB-CE1 4.26Å; V23-F77 HydrophobicContact CG2-CD2 4.27Å; V23-F77 HydrophobicContact CG2-CE2 4.13Å; V23-F77 HydrophobicContact CG2-CZ 4.32Å; A26-F77 HydrophobicContact CB-CE2 3.88Å; A26-F77 HydrophobicContact CB-CZ 3.6Å; I75-F77 HydrophobicContact CD1-CD1 3.74Å; I75-F77 HydrophobicContact CD1-CE1 4.15Å; I75-F77 HydrophobicContact CG1-CD1 3.88Å; I75-F77 HydrophobicContact CG2-CD1 4.25Å; I75-F77 HydrophobicContact CG2-CE1 4.17Å; F77-M79 HydrophobicContact CD2-CG 4.11Å; F77-M79 HydrophobicContact CE2-CG 3.92Å; F77-M79 HydrophobicContact CE2-SD 3.91Å; F77-V84 HydrophobicContact CD1-CB 4.23Å; F77-V84 HydrophobicContact CD2-CB 4.41Å; F77-V84 HydrophobicContact CE1-CB 3.83Å; F77-V84 HydrophobicContact CE1-CG1 3.78Å; F77-V84 HydrophobicContact CE2-CB 4.01Å; F77-V84 HydrophobicContact CE2-CG2 4.07Å; F77-V84 HydrophobicContact CZ-CB 3.71Å; F77-V84 HydrophobicContact CZ-CG1 3.78Å; F77-V84 HydrophobicContact CZ-CG2 4.1Å; F77-V84 PolarHBondContact N-O 3.26Å; F77-V84 PolarHBondContact O-N 2.88Å
78	Y	97.7	Very high	97.7	Very high	74 Å²	74	42.4 Å²	42.4	29%	0.29	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	141.5	171.9	-78.4	-100.7	0	0	0	110.8	A7 V8 K10 Y76 V82 A83	A7-Y78 CarbonylContact C-O 3.49Å; A7-Y78 VanDerWaalsContact CA-O 3.27Å; A7-Y78 WeakPolarHBondContact CA-O 3.16Å; V8-Y78 PolarHBondContact N-O 3.4Å; V8-Y78 PolarHBondContact O-N 2.91Å; K10-Y78 HydrophobicContact CD-CD2 4.46Å; K10-Y78 HydrophobicContact CG-CD2 3.73Å; K10-Y78 HydrophobicContact CG-CE2 3.98Å; Y76-Y78 HydrophobicContact CE1-CE2 4.02Å; Y76-Y78 AromaticContact CZ-CE2 3.72Å; Y76-Y78 VanDerWaalsContact OH-CE2 3.28Å; Y76-Y78 WeakPolarHBondContact OH-CE2 3.1Å; Y76-Y78 PolarHBondContact OH-OH 3.38Å; Y78-V82 CarbonylContact C-O 3.46Å; Y78-V82 WeakPolarHBondContact CA-O 3.49Å; Y78-A83 HydrophobicContact CD1-CB 3.97Å; Y78-A83 HydrophobicContact CD2-CB 4.48Å; Y78-A83 HydrophobicContact CE1-CB 3.63Å; Y78-A83 HydrophobicContact CE2-CB 4.17Å; Y78-A83 HydrophobicContact CG-CB 4.39Å
79	M	95.6	Very high	97.7	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.025	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	110.4	162	-79.5	-178.7	133.3	0	0	108.2	H5 A7 V23 A26 A27 L30 F77 N81 V82	H5-M79 VanDerWaalsContact O-CE 3.28Å; H5-M79 WeakPolarHBondContact O-CE 3.28Å; A7-M79 HydrophobicContact CB-CE 4.25Å; A7-M79 HydrophobicContact CB-CG 4.17Å; V23-M79 HydrophobicContact CG1-CE 3.68Å; V23-M79 WeakPolarHBondContact O-CE 3.41Å; A26-M79 HydrophobicContact CB-SD 3.87Å; A27-M79 HydrophobicContact CB-CE 3.76Å; A27-M79 HydrophobicContact CB-SD 4.5Å; L30-M79 HydrophobicContact CD1-CB 3.85Å; L30-M79 HydrophobicContact CD1-CG 4.45Å; L30-M79 HydrophobicContact CD1-SD 3.76Å; F77-M79 HydrophobicContact CD2-CG 4.11Å; F77-M79 HydrophobicContact CE2-CG 3.92Å; F77-M79 HydrophobicContact CE2-SD 3.91Å; M79-N81 PolarHBondContact O-N 2.88Å; M79-V82 PolarHBondContact N-O 3.04Å; M79-V82 PolarHBondContact O-N 2.78Å
80	G	93.4	Very high	97.4	Very high	49 Å²	49	41.7 Å²	41.7	51%	0.505	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	-120.4	-168.2	0	0	0	0	0	111.5	E4	E4-G80 PolarHBondContact O-N 2.98Å
81	N	93.4	Very high	97.4	Very high	107 Å²	107	40.6 Å²	40.6	57%	0.572	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	7.4	177.6	67.3	-14.3	0	0	0	114	M79	M79-N81 PolarHBondContact O-N 2.88Å
82	V	96.2	Very high	97.4	Very high	11 Å²	11	37.2 Å²	37.2	7%	0.067	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.4	-180	-179.6	0	0	0	0	108.9	V59 R61 Y78 M79	V59-V82 HydrophobicContact CG1-CG1 3.41Å; V59-V82 VanDerWaalsContact CG1-CG1 3.41Å; R61-V82 HydrophobicContact CG-CG2 4.27Å; Y78-V82 CarbonylContact C-O 3.46Å; Y78-V82 WeakPolarHBondContact CA-O 3.49Å; M79-V82 PolarHBondContact N-O 3.04Å; M79-V82 PolarHBondContact O-N 2.78Å
83	A	98.1	Very high	97.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	139.7	171.3	0	0	0	0	0	110.2	V59 G60 F63 Y76 Y78	V59-A83 WeakPolarHBondContact CA-O 3.45Å; G60-A83 PolarHBondContact N-O 2.81Å; G60-A83 WeakPolarHBondContact O-CB 3.45Å; G60-A83 PolarHBondContact O-N 2.81Å; F63-A83 HydrophobicContact CE1-CB 3.67Å; F63-A83 HydrophobicContact CZ-CB 3.98Å; Y76-A83 HydrophobicContact CE2-CB 3.85Å; Y78-A83 HydrophobicContact CD1-CB 3.97Å; Y78-A83 HydrophobicContact CD2-CB 4.48Å; Y78-A83 HydrophobicContact CE1-CB 3.63Å; Y78-A83 HydrophobicContact CE2-CB 4.17Å; Y78-A83 HydrophobicContact CG-CB 4.39Å
84	V	98.7	Very high	97.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.5	174.2	-176.9	0	0	0	0	107.9	A26 I43 I58 V59 Y76 F77	A26-V84 HydrophobicContact CB-CG2 4.32Å; I43-V84 HydrophobicContact CD1-CG1 4.08Å; I58-V84 WeakPolarHBondContact O-CA 3.24Å; V59-V84 HydrophobicContact CG2-CG1 4.45Å; V59-V84 HydrophobicContact CG2-CG2 4.35Å; Y76-V84 WeakPolarHBondContact CA-O 3.49Å; Y76-V84 WeakPolarHBondContact CD2-O 3.45Å; F77-V84 HydrophobicContact CD1-CB 4.23Å; F77-V84 HydrophobicContact CD2-CB 4.41Å; F77-V84 HydrophobicContact CE1-CB 3.83Å; F77-V84 HydrophobicContact CE1-CG1 3.78Å; F77-V84 HydrophobicContact CE2-CB 4.01Å; F77-V84 HydrophobicContact CE2-CG2 4.07Å; F77-V84 HydrophobicContact CZ-CB 3.71Å; F77-V84 HydrophobicContact CZ-CG1 3.78Å; F77-V84 HydrophobicContact CZ-CG2 4.1Å; F77-V84 PolarHBondContact N-O 3.26Å; F77-V84 PolarHBondContact O-N 2.88Å
85	L	98.8	Very high	97.2	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.1	169	175	67.7	0	0	0	107.9	C57 I58 F63 S65 V67 F74 Y76 F87	C57-L85 CarbonylContact C-O 3.57Å; C57-L85 VanDerWaalsContact CA-O 3.29Å; C57-L85 WeakPolarHBondContact CA-O 3.49Å; I58-L85 HydrophobicContact CB-CB 4.22Å; I58-L85 HydrophobicContact CD1-CD2 4.01Å; I58-L85 HydrophobicContact CG1-CD2 4.42Å; I58-L85 PolarHBondContact N-O 3.49Å; I58-L85 PolarHBondContact O-N 2.59Å; F63-L85 HydrophobicContact CE2-CB 4.16Å; F63-L85 HydrophobicContact CE2-CD2 4.38Å; F63-L85 HydrophobicContact CZ-CB 4.09Å; S65-L85 WeakPolarHBondContact OG-CD2 3.49Å; V67-L85 HydrophobicContact CG2-CD2 4.4Å; F74-L85 HydrophobicContact CD2-CD1 4.36Å; F74-L85 HydrophobicContact CE1-CD1 4.46Å; F74-L85 HydrophobicContact CE2-CD1 3.48Å; F74-L85 VanDerWaalsContact CE2-CD1 3.48Å; F74-L85 HydrophobicContact CZ-CD1 3.53Å; Y76-L85 HydrophobicContact CD2-CB 4.01Å; Y76-L85 HydrophobicContact CD2-CD1 4.18Å; Y76-L85 HydrophobicContact CG-CD1 4.45Å; L85-F87 HydrophobicContact CD2-CD1 4.29Å; L85-F87 HydrophobicContact CD2-CE1 4.25Å; L85-F87 HydrophobicContact CG-CD1 4.06Å; L85-F87 HydrophobicContact CG-CE1 4.45Å
86	L	98.9	Very high	97	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	123.6	-179.4	176.9	66	0	0	0	108.8	A22 I43 F47 W55 H56 C57 I75	A22-L86 HydrophobicContact CB-CD2 3.93Å; I43-L86 HydrophobicContact CG2-CD1 3.97Å; I43-L86 HydrophobicContact CG2-CD2 3.8Å; I43-L86 HydrophobicContact CG2-CG 4.44Å; F47-L86 HydrophobicContact CD1-CD2 3.62Å; F47-L86 HydrophobicContact CD1-CG 4.35Å; F47-L86 HydrophobicContact CD2-CD2 3.88Å; F47-L86 HydrophobicContact CE1-CD2 3.57Å; F47-L86 HydrophobicContact CE2-CD2 3.84Å; F47-L86 HydrophobicContact CG-CD1 4.4Å; F47-L86 HydrophobicContact CG-CD2 3.79Å; F47-L86 HydrophobicContact CZ-CD2 3.7Å; W55-L86 HydrophobicContact CB-CD1 4.46Å; W55-L86 HydrophobicContact CE3-CD1 3.77Å; W55-L86 HydrophobicContact CE3-CD2 4.43Å; W55-L86 HydrophobicContact CE3-CG 3.77Å; W55-L86 HydrophobicContact CZ3-CD1 4.47Å; W55-L86 HydrophobicContact CZ3-CD2 4.41Å; W55-L86 HydrophobicContact CZ3-CG 3.97Å; H56-L86 WeakPolarHBondContact O-CA 3.35Å; H56-L86 WeakPolarHBondContact O-CD1 3.47Å; C57-L86 HydrophobicContact CB-CD1 3.94Å; I75-L86 HydrophobicContact CG2-CB 3.86Å; I75-L86 HydrophobicContact CG2-CD2 4.3Å; I75-L86 HydrophobicContact CG2-CG 4.46Å; I75-L86 PolarHBondContact N-O 3.27Å; I75-L86 PolarHBondContact O-N 3.12Å
87	F	98.8	Very high	96.9	Very high	18 Å²	18	32.1 Å²	32.1	8%	0.079	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	153.8	-177.7	68.6	-81.2	0	0	0	112.5	W55 H56 V67 H69 H73 F74 L85	W55-F87 WeakPolarHBondContact CA-O 3.21Å; H56-F87 HydrophobicContact CB-CD1 4.04Å; H56-F87 HydrophobicContact CB-CD2 4.3Å; H56-F87 HydrophobicContact CB-CE1 3.57Å; H56-F87 HydrophobicContact CB-CE2 3.85Å; H56-F87 HydrophobicContact CB-CG 4.39Å; H56-F87 HydrophobicContact CB-CZ 3.45Å; H56-F87 VanDerWaalsContact CB-CZ 3.45Å; H56-F87 AromaticContact CD2-CE2 3.78Å; H56-F87 AromaticContact CG-CE2 3.95Å; H56-F87 AromaticContact CG-CZ 3.89Å; H56-F87 PolarHBondContact N-O 2.77Å; H56-F87 PolarHBondContact O-N 3.3Å; V67-F87 HydrophobicContact CB-CD2 4.49Å; V67-F87 HydrophobicContact CB-CE1 4.23Å; V67-F87 HydrophobicContact CB-CE2 4.02Å; V67-F87 HydrophobicContact CB-CZ 3.88Å; V67-F87 HydrophobicContact CG1-CE1 3.98Å; V67-F87 HydrophobicContact CG1-CE2 4.4Å; V67-F87 HydrophobicContact CG1-CZ 3.76Å; V67-F87 HydrophobicContact CG2-CD1 4.17Å; V67-F87 HydrophobicContact CG2-CD2 4.34Å; V67-F87 HydrophobicContact CG2-CE1 4.15Å; V67-F87 HydrophobicContact CG2-CE2 4.32Å; V67-F87 HydrophobicContact CG2-CG 4.27Å; V67-F87 HydrophobicContact CG2-CZ 4.23Å; H69-F87 HydrophobicContact CB-CB 3.92Å; H69-F87 HydrophobicContact CB-CD2 4.02Å; H69-F87 HydrophobicContact CB-CG 4.39Å; H73-F87 CarbonylContact O-C 3.54Å; H73-F87 WeakPolarHBondContact O-CA 3.27Å; F74-F87 HydrophobicContact CB-CB 4.4Å; F74-F87 HydrophobicContact CD2-CB 3.69Å; F74-F87 HydrophobicContact CE2-CB 4.46Å; F74-F87 HydrophobicContact CG-CB 4.43Å; L85-F87 HydrophobicContact CD2-CD1 4.29Å; L85-F87 HydrophobicContact CD2-CE1 4.25Å; L85-F87 HydrophobicContact CG-CD1 4.06Å; L85-F87 HydrophobicContact CG-CE1 4.45Å
88	K	98.8	Very high	96.8	Very high	20 Å²	20	34.6 Å²	34.6	9%	0.087	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	135.5	174.7	-163.6	179.2	169.1	146.2	0	111	Y51 N52 P53 T54 W55 H69 E70 H73	Y51-K88 PolarHBondContact O-NZ 2.99Å; N52-K88 PolarHBondContact O-NZ 3.21Å; P53-K88 WeakPolarHBondContact O-CE 3.44Å; P53-K88 PolarHBondContact O-NZ 3.03Å; T54-K88 WeakPolarHBondContact O-CA 3.32Å; T54-K88 WeakPolarHBondContact O-CG 3.44Å; W55-K88 HydrophobicContact CD2-CB 4.11Å; W55-K88 HydrophobicContact CD2-CG 4.44Å; W55-K88 HydrophobicContact CE3-CB 4.18Å; W55-K88 HydrophobicContact CZ2-CB 4.45Å; W55-K88 HydrophobicContact CZ2-CD 4.42Å; W55-K88 HydrophobicContact CZ3-CB 4.39Å; H69-K88 CarbonylContact C-O 3.56Å; H69-K88 VanDerWaalsContact CA-O 3.27Å; H69-K88 WeakPolarHBondContact CA-O 3.12Å; E70-K88 PolarHBondContact N-O 3.13Å; E70-K88 WeakPolarHBondContact OE1-CG 3.14Å; E70-K88 VanDerWaalsContact OE2-CD 3.32Å; E70-K88 WeakPolarHBondContact OE2-CD 3.47Å; E70-K88 WeakPolarHBondContact OE2-CE 3.42Å; H73-K88 HydrophobicContact CB-CB 3.43Å; H73-K88 VanDerWaalsContact CB-CB 3.43Å; H73-K88 HydrophobicContact CB-CD 4.28Å; H73-K88 HydrophobicContact CB-CG 4.49Å; H73-K88 PolarHBondContact O-N 2.79Å
89	S	97.7	Very high	96.7	Very high	48 Å²	48	31.3 Å²	31.3	34%	0.336	24%	0.24	S	C	.	.			trans	-160.5	113.2	174.1	175.6	0	0	0	0	109.1	T54 H56 E70	T54-S89 PolarHBondContact O-N 2.92Å; H56-S89 PolarHBondContact NE2-O 2.96Å; E70-S89 WeakPolarHBondContact OE1-CA 3.46Å
90	G	92.4	Very high	96.8	Very high	116 Å²	116	33.7 Å²	33.7	100%	1.196	26%	0.26	S	S	*	.			trans	178.7	0	172	0	0	0	0	0	113.8	E70	E70-G90 PolarHBondContact OE1-N 3.07Å; E70-G90 VanDerWaalsContact OE1-N 3.07Å

Retrieved 90 of 90 residues in 167.9 ms (Link to these results)

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