A0A5K4F797_SCHMA Loading...

Saposin B-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F797, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 93 aa.

						>A0A5K4F797_SCHMA|A0A5K4F797
MEESCLLYALGKNEYVSKNDIQKLRSFKANPNTINEMRKLCKQTRSCIVRLTQCISPAFEDLKCEVDPVLIKMCQNFNIQVKDRENSIKTICV
					

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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	43.1	Very low	45.1	Very low	178 Å²	178	71.5 Å²	71.5	88%	0.877	39%	0.393	S	S	*	.				0	-43.7	0	-75.5	-176.8	-149.1	0	0	111.6	E3 S4	M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 2.99Å; M1-S4 PolarHBondContact O-N 3.46Å
2	E	37.6	Very low	45.8	Very low	123 Å²	123	72 Å²	72	58%	0.575	39%	0.388	S	S	*	.	H	α-helix	trans	-58.5	-39.7	173.4	-66	-178.1	155	0	0	114	S4 C5 L6	E2-S4 VanDerWaalsContact C-N 3.3Å; E2-S4 PolarHBondContact O-N 2.87Å; E2-C5 WeakPolarHBondContact O-CB 3.42Å; E2-C5 PolarHBondContact O-N 3.15Å; E2-C5 VanDerWaalsContact O-N 3.17Å; E2-L6 VanDerWaalsContact O-CG 3.32Å; E2-L6 WeakPolarHBondContact O-CG 3.49Å; E2-L6 PolarHBondContact O-N 2.8Å; E2-L6 VanDerWaalsContact O-N 3.1Å
3	E	37.1	Very low	46.4	Very low	131 Å²	131	78.2 Å²	78.2	61%	0.612	42%	0.421	S	S	*	.	H	α-helix	trans	-58.2	-37.8	179.3	-71.3	-179	152.9	0	0	113.3	M1 C5 L6 L7	M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 2.99Å; E3-C5 VanDerWaalsContact C-N 3.32Å; E3-C5 PolarHBondContact O-N 2.67Å; E3-L6 PolarHBondContact O-N 2.76Å; E3-L7 VanDerWaalsContact O-CB 3.32Å; E3-L7 WeakPolarHBondContact O-CB 3.44Å; E3-L7 WeakPolarHBondContact O-CG 3.27Å; E3-L7 PolarHBondContact O-N 2.83Å
4	S	40.6	Very low	47.1	Very low	79 Å²	79	85.7 Å²	85.7	55%	0.552	45%	0.452	S	S	*	.	H	α-helix	trans	-67.1	-34.9	179.9	-52.2	0	0	0	0	112.4	M1 E2 Y8	M1-S4 PolarHBondContact O-N 3.46Å; E2-S4 VanDerWaalsContact C-N 3.3Å; E2-S4 PolarHBondContact O-N 2.87Å; S4-Y8 WeakPolarHBondContact O-CB 3.44Å; S4-Y8 PolarHBondContact O-N 3.18Å; S4-Y8 VanDerWaalsContact O-N 3.09Å
5	C	45.2	Very low	47.4	Very low	14 Å²	14	90.5 Å²	90.5	10%	0.095	46%	0.463	C	S	.	.	H	α-helix	trans	-68.5	-43.5	175.6	-120.4	0	0	0	0	111.1	E2 E3 Y8 A9 R50 C54	E2-C5 WeakPolarHBondContact O-CB 3.42Å; E2-C5 PolarHBondContact O-N 3.15Å; E2-C5 VanDerWaalsContact O-N 3.17Å; E3-C5 VanDerWaalsContact C-N 3.32Å; E3-C5 PolarHBondContact O-N 2.67Å; C5-Y8 PolarHBondContact O-N 3.02Å; C5-A9 WeakPolarHBondContact O-CB 3.24Å; C5-A9 PolarHBondContact O-N 2.96Å; C5-R50 PolarHBondContact SG-O 3.05Å; C5-C54 VanDerWaalsContact CA-SG 3.52Å; C5-C54 HydrophobicContact CB-CB 4.19Å; C5-C54 WeakPolarHBondContact CB-SG 3.43Å; C5-C54 VanDerWaalsContact SG-CA 3.53Å; C5-C54 WeakPolarHBondContact SG-CB 3.21Å; C5-C54 PolarHBondContact SG-N 3.3Å; C5-C54 VanDerWaalsContact SG-N 3.35Å; C5-C54 CovalentContact SG-SG 2.06Å; C5-C54 PolarHBondContact SG-SG 3.35Å
6	L	44.6	Very low	47.5	Very low	45 Å²	45	85.6 Å²	85.6	24%	0.236	44%	0.439	C	S	.	.	H	α-helix	trans	-63.6	-46.2	175.9	-65.1	164.5	0	0	0	111	E2 E3 Y8 A9 L10 V16 I21 L24	E2-L6 VanDerWaalsContact O-CG 3.32Å; E2-L6 WeakPolarHBondContact O-CG 3.49Å; E2-L6 PolarHBondContact O-N 2.8Å; E2-L6 VanDerWaalsContact O-N 3.1Å; E3-L6 PolarHBondContact O-N 2.76Å; L6-Y8 PolarHBondContact O-N 3.32Å; L6-A9 PolarHBondContact O-N 3.42Å; L6-L10 VanDerWaalsContact O-CB 3.25Å; L6-L10 WeakPolarHBondContact O-CB 3.25Å; L6-L10 VanDerWaalsContact O-CD1 3.27Å; L6-L10 WeakPolarHBondContact O-CD1 3.46Å; L6-L10 VanDerWaalsContact O-CG 3.24Å; L6-L10 WeakPolarHBondContact O-CG 3.18Å; L6-L10 PolarHBondContact O-N 3.3Å; L6-V16 HydrophobicContact CB-CB 4.4Å; L6-V16 HydrophobicContact CB-CG1 4.03Å; L6-V16 HydrophobicContact CB-CG2 3.74Å; L6-V16 HydrophobicContact CD1-CG1 4.42Å; L6-I21 HydrophobicContact CD1-CG1 4.47Å; L6-L24 HydrophobicContact CB-CD1 4.23Å; L6-L24 HydrophobicContact CD2-CD1 3.12Å; L6-L24 HydrophobicContact CG-CD1 4.27Å
7	L	44.3	Very low	47.8	Very low	27 Å²	27	82.4 Å²	82.4	14%	0.141	43%	0.426	C	S	.	.	H	α-helix	trans	-53.3	-52.6	175.1	-80.1	176	0	0	0	111.2	E3 L10 G11 K12 Y15 V16	E3-L7 VanDerWaalsContact O-CB 3.32Å; E3-L7 WeakPolarHBondContact O-CB 3.44Å; E3-L7 WeakPolarHBondContact O-CG 3.27Å; E3-L7 PolarHBondContact O-N 2.83Å; L7-L10 CarbonylContact O-C 3.29Å; L7-L10 PolarHBondContact O-N 3.23Å; L7-G11 PolarHBondContact O-N 3.13Å; L7-K12 CarbonylContact C-O 3.28Å; L7-K12 VanDerWaalsContact C-O 3.29Å; L7-K12 VanDerWaalsContact CB-O 3.3Å; L7-K12 WeakPolarHBondContact CB-O 3.41Å; L7-K12 HydrophobicContact CD2-CB 3.69Å; L7-K12 PolarHBondContact O-N 2.95Å; L7-K12 VanDerWaalsContact O-O 3.08Å; L7-Y15 VanDerWaalsContact CD2-N 3.34Å; L7-V16 HydrophobicContact CB-CG2 4.35Å; L7-V16 HydrophobicContact CD2-CG2 3.53Å; L7-V16 HydrophobicContact CG-CG2 3.65Å
8	Y	50.4	Low	48.2	Very low	87 Å²	87	86.9 Å²	86.9	34%	0.341	44%	0.442	S	S	.	.	H	α-helix	trans	-66.3	-42.8	-178.5	-167.8	-79.4	0	0	0	112.3	S4 C5 L6 L10 G11 T33 M37 L40	S4-Y8 WeakPolarHBondContact O-CB 3.44Å; S4-Y8 PolarHBondContact O-N 3.18Å; S4-Y8 VanDerWaalsContact O-N 3.09Å; C5-Y8 PolarHBondContact O-N 3.02Å; L6-Y8 PolarHBondContact O-N 3.32Å; Y8-L10 PolarHBondContact O-N 3.02Å; Y8-G11 PolarHBondContact O-N 2.91Å; Y8-T33 HydrophobicContact CE1-CG2 4.36Å; Y8-M37 HydrophobicContact CD1-CE 3.16Å; Y8-M37 HydrophobicContact CD1-CG 4.29Å; Y8-M37 HydrophobicContact CE1-CE 3.43Å; Y8-M37 VanDerWaalsContact CE1-CE 3.43Å; Y8-M37 HydrophobicContact CE1-CG 3.51Å; Y8-M37 HydrophobicContact CE1-SD 4.28Å; Y8-M37 HydrophobicContact CG-CE 4.31Å; Y8-L40 HydrophobicContact CE2-CD1 4.38Å; Y8-L40 WeakPolarHBondContact OH-CD1 3.25Å
9	A	47.7	Very low	48.8	Very low	6 Å²	6	87.9 Å²	87.9	5%	0.05	45%	0.449	C	S	.	.	H	α-helix	trans	-62.7	-29.8	176.4	0	0	0	0	0	112.8	C5 L6 L24 F27 F59	C5-A9 WeakPolarHBondContact O-CB 3.24Å; C5-A9 PolarHBondContact O-N 2.96Å; L6-A9 PolarHBondContact O-N 3.42Å; A9-L24 HydrophobicContact CB-CD2 3.92Å; A9-F27 VanDerWaalsContact O-CE1 3.25Å; A9-F27 WeakPolarHBondContact O-CE1 3.3Å; A9-F27 WeakPolarHBondContact O-CZ 3.49Å; A9-F59 HydrophobicContact CB-CE2 4.31Å; A9-F59 HydrophobicContact CB-CZ 4.46Å
10	L	49.4	Very low	48.9	Very low	30 Å²	30	84.1 Å²	84.1	16%	0.157	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-3.4	178.8	-71.4	162.1	0	0	0	113.9	L6 L7 Y8 K12 V16 D20 L24	L6-L10 VanDerWaalsContact O-CB 3.25Å; L6-L10 WeakPolarHBondContact O-CB 3.25Å; L6-L10 VanDerWaalsContact O-CD1 3.27Å; L6-L10 WeakPolarHBondContact O-CD1 3.46Å; L6-L10 VanDerWaalsContact O-CG 3.24Å; L6-L10 WeakPolarHBondContact O-CG 3.18Å; L6-L10 PolarHBondContact O-N 3.3Å; L7-L10 CarbonylContact O-C 3.29Å; L7-L10 PolarHBondContact O-N 3.23Å; Y8-L10 PolarHBondContact O-N 3.02Å; L10-K12 HydrophobicContact CB-CB 4.49Å; L10-K12 HydrophobicContact CB-CD 4.46Å; L10-K12 HydrophobicContact CB-CG 4.08Å; L10-K12 PolarHBondContact O-N 3.47Å; L10-V16 HydrophobicContact CD1-CG1 3.77Å; L10-V16 HydrophobicContact CD1-CG2 4.13Å; L10-D20 HydrophobicContact CD1-CB 3.45Å; L10-D20 VanDerWaalsContact CD1-CB 3.45Å; L10-D20 HydrophobicContact CD2-CB 4.2Å; L10-D20 HydrophobicContact CG-CB 4.46Å; L10-L24 HydrophobicContact CD1-CD1 3.71Å; L10-L24 HydrophobicContact CD1-CG 4.21Å; L10-L24 HydrophobicContact CD2-CD1 4.26Å; L10-L24 HydrophobicContact CD2-CD2 4.04Å; L10-L24 HydrophobicContact CD2-CG 3.82Å; L10-L24 HydrophobicContact CG-CD1 3.87Å; L10-L24 HydrophobicContact CG-CD2 4.03Å; L10-L24 HydrophobicContact CG-CG 3.93Å
11	G	55.9	Low	48.9	Very low	67 Å²	67	83.9 Å²	83.9	69%	0.691	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	29.8	-173.1	0	0	0	0	0	113.5	L7 Y8	L7-G11 PolarHBondContact O-N 3.13Å; Y8-G11 PolarHBondContact O-N 2.91Å
12	K	53.2	Low	49.1	Very low	77 Å²	77	81 Å²	81	34%	0.335	41%	0.412	S	S	.	.			trans	-108.5	150.9	179	-66.5	-166.4	-179.3	-167.7	0	110.5	L7 L10 Y15 D20	L7-K12 CarbonylContact C-O 3.28Å; L7-K12 VanDerWaalsContact C-O 3.29Å; L7-K12 VanDerWaalsContact CB-O 3.3Å; L7-K12 WeakPolarHBondContact CB-O 3.41Å; L7-K12 HydrophobicContact CD2-CB 3.69Å; L7-K12 PolarHBondContact O-N 2.95Å; L7-K12 VanDerWaalsContact O-O 3.08Å; L10-K12 HydrophobicContact CB-CB 4.49Å; L10-K12 HydrophobicContact CB-CD 4.46Å; L10-K12 HydrophobicContact CB-CG 4.08Å; L10-K12 PolarHBondContact O-N 3.47Å; K12-Y15 VanDerWaalsContact CD-O 3.27Å; K12-Y15 WeakPolarHBondContact CD-O 3.48Å; K12-D20 WeakPolarHBondContact CE-OD1 3.39Å; K12-D20 IonicContact NZ-OD1 2.94Å; K12-D20 PolarHBondContact NZ-OD1 2.95Å; K12-D20 IonicContact NZ-OD2 2.78Å; K12-D20 PolarHBondContact NZ-OD2 3.41Å
13	N	54.7	Low	49.7	Very low	152 Å²	152	81.1 Å²	81.1	81%	0.813	41%	0.411	S	S	*	.	S	Bend	trans	-108.9	-18.7	-175.7	-65.2	-20.6	0	0	0	114.2
14	E	55.6	Low	50.2	Low	184 Å²	184	75.9 Å²	75.9	86%	0.86	39%	0.387	S	S	*	.	S	Bend	trans	-132.2	-35.2	-163.6	-63.7	179.5	139.9	0	0	114.9
15	Y	51.8	Low	50.3	Low	157 Å²	157	83.2 Å²	83.2	62%	0.616	40%	0.403	S	S	*	.			trans	-152.5	143.6	-177.7	-178.9	-106.6	0	0	0	114	L7 K12	L7-Y15 VanDerWaalsContact CD2-N 3.34Å; K12-Y15 VanDerWaalsContact CD-O 3.27Å; K12-Y15 WeakPolarHBondContact CD-O 3.48Å
16	V	48.6	Very low	50.3	Low	13 Å²	13	87.2 Å²	87.2	8%	0.079	43%	0.431	C	S	.	.			trans	-115.1	112.1	172.7	-178.5	0	0	0	0	108.2	L6 L7 L10 D20 I21	L6-V16 HydrophobicContact CB-CB 4.4Å; L6-V16 HydrophobicContact CB-CG1 4.03Å; L6-V16 HydrophobicContact CB-CG2 3.74Å; L6-V16 HydrophobicContact CD1-CG1 4.42Å; L7-V16 HydrophobicContact CB-CG2 4.35Å; L7-V16 HydrophobicContact CD2-CG2 3.53Å; L7-V16 HydrophobicContact CG-CG2 3.65Å; L10-V16 HydrophobicContact CD1-CG1 3.77Å; L10-V16 HydrophobicContact CD1-CG2 4.13Å; V16-D20 HydrophobicContact CG1-CB 3.86Å; V16-I21 HydrophobicContact CG1-CD1 4.47Å; V16-I21 HydrophobicContact CG1-CG1 3.72Å
17	S	53.6	Low	50.6	Low	30 Å²	30	88.3 Å²	88.3	21%	0.21	43%	0.434	C	S	.	.			trans	-77.3	160.3	173.9	71.4	0	0	0	0	111.1	N19 D20 I21	S17-N19 PolarHBondContact O-N 2.95Å; S17-N19 VanDerWaalsContact O-N 3.13Å; S17-N19 PolarHBondContact OG-N 3.39Å; S17-D20 WeakPolarHBondContact CB-OD2 3.3Å; S17-D20 PolarHBondContact N-OD2 3.36Å; S17-D20 WeakPolarHBondContact O-CA 3.4Å; S17-D20 WeakPolarHBondContact O-CB 3.42Å; S17-D20 PolarHBondContact O-N 3.08Å; S17-D20 PolarHBondContact OG-N 3.09Å; S17-D20 PolarHBondContact OG-OD2 2.95Å; S17-I21 PolarHBondContact O-N 2.89Å
18	K	54.9	Low	50.8	Low	165 Å²	165	96.4 Å²	96.4	72%	0.717	47%	0.468	S	S	*	.	H	α-helix	trans	-52.8	-33.7	171.2	-170	177.9	-179.1	179.8	0	112.6	D20 I21 Q22	K18-D20 VanDerWaalsContact C-N 3.34Å; K18-I21 PolarHBondContact O-N 3.48Å; K18-Q22 PolarHBondContact O-N 3.49Å; K18-Q22 VanDerWaalsContact O-N 3.15Å
19	N	59.1	Low	50.8	Low	106 Å²	106	92.8 Å²	92.8	57%	0.567	46%	0.456	S	S	*	.	H	α-helix	trans	-68.1	-33.4	175.1	-75.9	-2.6	0	0	0	112.4	S17 Q22 K23	S17-N19 PolarHBondContact O-N 2.95Å; S17-N19 VanDerWaalsContact O-N 3.13Å; S17-N19 PolarHBondContact OG-N 3.39Å; N19-Q22 PolarHBondContact O-N 3.39Å; N19-K23 WeakPolarHBondContact O-CG 3.32Å; N19-K23 PolarHBondContact O-N 3.34Å
20	D	50.5	Low	51.1	Low	11 Å²	11	96 Å²	96	6%	0.059	47%	0.473	C	S	.	.	H	α-helix	trans	-71.6	-36	177.6	-57.3	-55.2	0	0	0	111.6	L10 K12 V16 S17 K18 Q22 K23 L24	L10-D20 HydrophobicContact CD1-CB 3.45Å; L10-D20 VanDerWaalsContact CD1-CB 3.45Å; L10-D20 HydrophobicContact CD2-CB 4.2Å; L10-D20 HydrophobicContact CG-CB 4.46Å; K12-D20 WeakPolarHBondContact CE-OD1 3.39Å; K12-D20 IonicContact NZ-OD1 2.94Å; K12-D20 PolarHBondContact NZ-OD1 2.95Å; K12-D20 IonicContact NZ-OD2 2.78Å; K12-D20 PolarHBondContact NZ-OD2 3.41Å; V16-D20 HydrophobicContact CG1-CB 3.86Å; S17-D20 WeakPolarHBondContact CB-OD2 3.3Å; S17-D20 PolarHBondContact N-OD2 3.36Å; S17-D20 WeakPolarHBondContact O-CA 3.4Å; S17-D20 WeakPolarHBondContact O-CB 3.42Å; S17-D20 PolarHBondContact O-N 3.08Å; S17-D20 PolarHBondContact OG-N 3.09Å; S17-D20 PolarHBondContact OG-OD2 2.95Å; K18-D20 VanDerWaalsContact C-N 3.34Å; D20-Q22 VanDerWaalsContact C-N 3.3Å; D20-Q22 PolarHBondContact O-N 2.81Å; D20-K23 WeakPolarHBondContact O-CB 3.02Å; D20-K23 PolarHBondContact O-N 3.42Å; D20-L24 WeakPolarHBondContact O-CG 3.17Å; D20-L24 PolarHBondContact O-N 3.04Å
21	I	49.5	Very low	51.3	Low	79 Å²	79	98.8 Å²	98.8	41%	0.405	49%	0.492	S	S	.	.	H	α-helix	trans	-61.7	-40	171.1	-57.6	176.1	0	0	0	110.7	L6 V16 S17 K18 L24 R25	L6-I21 HydrophobicContact CD1-CG1 4.47Å; V16-I21 HydrophobicContact CG1-CD1 4.47Å; V16-I21 HydrophobicContact CG1-CG1 3.72Å; S17-I21 PolarHBondContact O-N 2.89Å; K18-I21 PolarHBondContact O-N 3.48Å; I21-L24 WeakPolarHBondContact O-CB 3.45Å; I21-L24 PolarHBondContact O-N 3.01Å; I21-R25 PolarHBondContact O-N 3.01Å
22	Q	47.8	Very low	51.4	Low	117 Å²	117	100.7 Å²	100.7	55%	0.547	49%	0.486	S	S	.	.	H	α-helix	trans	-66.5	-39.2	174.7	-73.5	-176.5	-9.6	0	0	112.4	K18 N19 D20 L24 R25 S26	K18-Q22 PolarHBondContact O-N 3.49Å; K18-Q22 VanDerWaalsContact O-N 3.15Å; N19-Q22 PolarHBondContact O-N 3.39Å; D20-Q22 VanDerWaalsContact C-N 3.3Å; D20-Q22 PolarHBondContact O-N 2.81Å; Q22-L24 VanDerWaalsContact C-N 3.26Å; Q22-L24 PolarHBondContact O-N 3.35Å; Q22-R25 PolarHBondContact O-N 3.33Å; Q22-S26 PolarHBondContact O-OG 2.75Å
23	K	50.5	Low	51.4	Low	126 Å²	126	98.3 Å²	98.3	55%	0.548	48%	0.478	S	S	.	.	H	α-helix	trans	-61.5	-35.1	173.3	-75.2	177.7	179.3	-179.7	0	111.8	N19 D20 R25 S26 F27	N19-K23 WeakPolarHBondContact O-CG 3.32Å; N19-K23 PolarHBondContact O-N 3.34Å; D20-K23 WeakPolarHBondContact O-CB 3.02Å; D20-K23 PolarHBondContact O-N 3.42Å; K23-R25 VanDerWaalsContact C-N 3.32Å; K23-R25 PolarHBondContact O-N 2.91Å; K23-S26 CarbonylContact O-C 3.1Å; K23-S26 VanDerWaalsContact O-C 3.28Å; K23-S26 WeakPolarHBondContact O-CA 3.43Å; K23-S26 PolarHBondContact O-N 3.39Å; K23-S26 PolarHBondContact O-OG 3.33Å; K23-S26 VanDerWaalsContact O-OG 3.05Å; K23-F27 WeakPolarHBondContact O-CB 3.47Å; K23-F27 PolarHBondContact O-N 3.23Å
24	L	45.9	Very low	51.3	Low	21 Å²	21	92.2 Å²	92.2	11%	0.11	45%	0.446	C	S	.	.	H	α-helix	trans	-64.3	-32.4	177.9	-78.4	165.2	0	0	0	114.2	L6 A9 L10 D20 I21 Q22 S26 F27	L6-L24 HydrophobicContact CB-CD1 4.23Å; L6-L24 HydrophobicContact CD2-CD1 3.12Å; L6-L24 HydrophobicContact CG-CD1 4.27Å; A9-L24 HydrophobicContact CB-CD2 3.92Å; L10-L24 HydrophobicContact CD1-CD1 3.71Å; L10-L24 HydrophobicContact CD1-CG 4.21Å; L10-L24 HydrophobicContact CD2-CD1 4.26Å; L10-L24 HydrophobicContact CD2-CD2 4.04Å; L10-L24 HydrophobicContact CD2-CG 3.82Å; L10-L24 HydrophobicContact CG-CD1 3.87Å; L10-L24 HydrophobicContact CG-CD2 4.03Å; L10-L24 HydrophobicContact CG-CG 3.93Å; D20-L24 WeakPolarHBondContact O-CG 3.17Å; D20-L24 PolarHBondContact O-N 3.04Å; I21-L24 WeakPolarHBondContact O-CB 3.45Å; I21-L24 PolarHBondContact O-N 3.01Å; Q22-L24 VanDerWaalsContact C-N 3.26Å; Q22-L24 PolarHBondContact O-N 3.35Å; L24-S26 PolarHBondContact O-N 3.36Å; L24-F27 HydrophobicContact CD2-CB 4.2Å; L24-F27 HydrophobicContact CD2-CD1 4.24Å; L24-F27 HydrophobicContact CD2-CG 4.27Å; L24-F27 PolarHBondContact O-N 2.94Å
25	R	42.5	Very low	51.3	Low	233 Å²	233	87 Å²	87	88%	0.879	42%	0.424	S	S	*	.	H	α-helix	trans	-65	-20.4	171.6	-69.9	-172.4	176.6	-165.9	-1.2	113.1	I21 Q22 K23	I21-R25 PolarHBondContact O-N 3.01Å; Q22-R25 PolarHBondContact O-N 3.33Å; K23-R25 VanDerWaalsContact C-N 3.32Å; K23-R25 PolarHBondContact O-N 2.91Å
26	S	46	Very low	51.6	Low	98 Å²	98	84.9 Å²	84.9	69%	0.685	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	5.3	178.6	36.3	0	0	0	0	112.7	Q22 K23 L24 K28	Q22-S26 PolarHBondContact O-OG 2.75Å; K23-S26 CarbonylContact O-C 3.1Å; K23-S26 VanDerWaalsContact O-C 3.28Å; K23-S26 WeakPolarHBondContact O-CA 3.43Å; K23-S26 PolarHBondContact O-N 3.39Å; K23-S26 PolarHBondContact O-OG 3.33Å; K23-S26 VanDerWaalsContact O-OG 3.05Å; L24-S26 PolarHBondContact O-N 3.36Å; S26-K28 PolarHBondContact O-N 3.37Å
27	F	50.1	Low	51.7	Low	68 Å²	68	85 Å²	85	30%	0.298	42%	0.419	S	S	.	.			trans	-83.9	107.2	-173.5	-161.2	-106.3	0	0	0	109.7	A9 K23 L24 A29	A9-F27 VanDerWaalsContact O-CE1 3.25Å; A9-F27 WeakPolarHBondContact O-CE1 3.3Å; A9-F27 WeakPolarHBondContact O-CZ 3.49Å; K23-F27 WeakPolarHBondContact O-CB 3.47Å; K23-F27 PolarHBondContact O-N 3.23Å; L24-F27 HydrophobicContact CD2-CB 4.2Å; L24-F27 HydrophobicContact CD2-CD1 4.24Å; L24-F27 HydrophobicContact CD2-CG 4.27Å; L24-F27 PolarHBondContact O-N 2.94Å; F27-A29 HydrophobicContact CD1-CB 4.01Å; F27-A29 HydrophobicContact CE1-CB 3.99Å; F27-A29 PolarHBondContact O-N 3.47Å
28	K	50	Low	51.8	Low	197 Å²	197	88.5 Å²	88.5	86%	0.857	43%	0.428	S	S	*	.			trans	-70	108.4	153.5	-71.6	-175.7	178	-177.8	0	106.1	S26 N30	S26-K28 PolarHBondContact O-N 3.37Å; K28-N30 PolarHBondContact O-N 3.13Å
29	A	49.7	Very low	51.8	Low	11 Å²	11	87.4 Å²	87.4	9%	0.091	42%	0.423	C	S	.	.			trans	-58.2	136.4	-179.9	0	0	0	0	0	110.4	F27 P31 I34 A58	F27-A29 HydrophobicContact CD1-CB 4.01Å; F27-A29 HydrophobicContact CE1-CB 3.99Å; F27-A29 PolarHBondContact O-N 3.47Å; A29-P31 WeakPolarHBondContact O-CD 3.45Å; A29-I34 HydrophobicContact CB-CD1 4.07Å; A29-I34 HydrophobicContact CB-CG1 3.96Å; A29-A58 HydrophobicContact CB-CB 3.26Å
30	N	53.6	Low	51.5	Low	75 Å²	75	85.6 Å²	85.6	40%	0.401	41%	0.413	S	S	.	.			trans	-58.3	126.2	176.9	-177.9	-19.2	0	0	0	108.3	K28 N32 T33 I34	K28-N30 PolarHBondContact O-N 3.13Å; N30-N32 PolarHBondContact O-N 3.15Å; N30-N32 WeakPolarHBondContact OD1-CB 3.33Å; N30-N32 PolarHBondContact OD1-N 2.63Å; N30-T33 WeakPolarHBondContact O-CB 3.37Å; N30-T33 PolarHBondContact O-N 3.45Å; N30-I34 PolarHBondContact O-N 3.26Å; N30-I34 VanDerWaalsContact O-N 3.13Å
31	P	54.1	Low	51.5	Low	88 Å²	88	86 Å²	86	57%	0.571	42%	0.417	S	S	*	.	H	α-helix	trans	-51.1	-29.6	177.1	-28.7	35	0	0	0	113.8	A29 I34 N35	A29-P31 WeakPolarHBondContact O-CD 3.45Å; P31-I34 PolarHBondContact O-N 3.05Å; P31-N35 WeakPolarHBondContact O-CB 3.46Å; P31-N35 PolarHBondContact O-N 3.29Å
32	N	58.5	Low	51.5	Low	106 Å²	106	90.7 Å²	90.7	57%	0.567	43%	0.434	S	S	*	.	H	α-helix	trans	-65.6	-45.7	174.9	-67.9	-16.5	0	0	0	111.8	N30 I34 N35 E36	N30-N32 PolarHBondContact O-N 3.15Å; N30-N32 WeakPolarHBondContact OD1-CB 3.33Å; N30-N32 PolarHBondContact OD1-N 2.63Å; N32-I34 VanDerWaalsContact C-N 3.33Å; N32-I34 PolarHBondContact O-N 3.28Å; N32-N35 PolarHBondContact O-N 3.29Å; N32-N35 VanDerWaalsContact O-N 3.15Å; N32-E36 WeakPolarHBondContact O-CG 3.42Å; N32-E36 PolarHBondContact O-N 3.25Å
33	T	52.9	Low	51.5	Low	27 Å²	27	92.4 Å²	92.4	17%	0.166	44%	0.442	C	S	.	.	H	α-helix	trans	-62.5	-41	176.5	-52	0	0	0	0	111.2	Y8 N30 N35 E36 M37	Y8-T33 HydrophobicContact CE1-CG2 4.36Å; N30-T33 WeakPolarHBondContact O-CB 3.37Å; N30-T33 PolarHBondContact O-N 3.45Å; T33-N35 VanDerWaalsContact C-N 3.34Å; T33-N35 PolarHBondContact O-N 2.98Å; T33-E36 PolarHBondContact O-N 2.97Å; T33-M37 WeakPolarHBondContact O-CG 3.47Å; T33-M37 PolarHBondContact O-N 3.4Å
34	I	52.2	Low	51.3	Low	25 Å²	25	89.5 Å²	89.5	13%	0.128	44%	0.435	C	S	.	.	H	α-helix	trans	-61.6	-43.6	174.1	-61	175.2	0	0	0	110.5	A29 N30 P31 N32 M37 R38 F59 L62	A29-I34 HydrophobicContact CB-CD1 4.07Å; A29-I34 HydrophobicContact CB-CG1 3.96Å; N30-I34 PolarHBondContact O-N 3.26Å; N30-I34 VanDerWaalsContact O-N 3.13Å; P31-I34 PolarHBondContact O-N 3.05Å; N32-I34 VanDerWaalsContact C-N 3.33Å; N32-I34 PolarHBondContact O-N 3.28Å; I34-M37 PolarHBondContact O-N 2.85Å; I34-R38 WeakPolarHBondContact O-CG 3.46Å; I34-R38 PolarHBondContact O-N 3.46Å; I34-F59 HydrophobicContact CG1-CE1 4.27Å; I34-L62 HydrophobicContact CG2-CD1 4.46Å; I34-L62 HydrophobicContact CG2-CD2 4.03Å; I34-L62 HydrophobicContact CG2-CG 4.44Å
35	N	56.1	Low	51.3	Low	75 Å²	75	99.1 Å²	99.1	40%	0.401	47%	0.47	S	S	.	.	H	α-helix	trans	-68.1	-36.5	179	-84.5	-17.5	0	0	0	113.2	P31 N32 T33 R38 K39	P31-N35 WeakPolarHBondContact O-CB 3.46Å; P31-N35 PolarHBondContact O-N 3.29Å; N32-N35 PolarHBondContact O-N 3.29Å; N32-N35 VanDerWaalsContact O-N 3.15Å; T33-N35 VanDerWaalsContact C-N 3.34Å; T33-N35 PolarHBondContact O-N 2.98Å; N35-R38 WeakPolarHBondContact O-CB 3.49Å; N35-R38 PolarHBondContact O-N 3.18Å; N35-R38 PolarHBondContact OD1-NH1 3.28Å; N35-K39 WeakPolarHBondContact O-CG 3.41Å; N35-K39 PolarHBondContact O-N 3.24Å
36	E	56.8	Low	51.3	Low	111 Å²	111	91.6 Å²	91.6	52%	0.519	45%	0.453	S	S	.	.	H	α-helix	trans	-65.9	-44.2	173.3	-74.7	-174.1	167	0	0	111.5	N32 T33 R38 K39 L40	N32-E36 WeakPolarHBondContact O-CG 3.42Å; N32-E36 PolarHBondContact O-N 3.25Å; T33-E36 PolarHBondContact O-N 2.97Å; E36-R38 VanDerWaalsContact C-N 3.32Å; E36-R38 PolarHBondContact O-N 2.86Å; E36-K39 PolarHBondContact O-N 3.36Å; E36-K39 VanDerWaalsContact O-N 3.08Å; E36-L40 WeakPolarHBondContact O-CG 3.33Å; E36-L40 PolarHBondContact O-N 3.39Å
37	M	52.7	Low	51.2	Low	17 Å²	17	87.4 Å²	87.4	8%	0.084	42%	0.424	C	S	.	.	H	α-helix	trans	-57.3	-45.7	171.5	-75.2	-161.3	176.3	0	0	111.2	Y8 T33 I34 K39 L40 C41 L51 F59 L62	Y8-M37 HydrophobicContact CD1-CE 3.16Å; Y8-M37 HydrophobicContact CD1-CG 4.29Å; Y8-M37 HydrophobicContact CE1-CE 3.43Å; Y8-M37 VanDerWaalsContact CE1-CE 3.43Å; Y8-M37 HydrophobicContact CE1-CG 3.51Å; Y8-M37 HydrophobicContact CE1-SD 4.28Å; Y8-M37 HydrophobicContact CG-CE 4.31Å; T33-M37 WeakPolarHBondContact O-CG 3.47Å; T33-M37 PolarHBondContact O-N 3.4Å; I34-M37 PolarHBondContact O-N 2.85Å; M37-K39 VanDerWaalsContact C-N 3.3Å; M37-K39 PolarHBondContact O-N 3.45Å; M37-L40 PolarHBondContact O-N 3.22Å; M37-C41 WeakPolarHBondContact O-CB 3.34Å; M37-C41 PolarHBondContact O-N 3.29Å; M37-L51 HydrophobicContact SD-CD2 3.44Å; M37-L51 WeakPolarHBondContact SD-CD2 3.5Å; M37-F59 HydrophobicContact CE-CE1 3.69Å; M37-F59 HydrophobicContact CE-CE2 3.97Å; M37-F59 HydrophobicContact CE-CZ 3.34Å; M37-F59 HydrophobicContact CG-CE1 4.35Å; M37-F59 HydrophobicContact SD-CD1 3.63Å; M37-F59 HydrophobicContact SD-CE1 3.11Å; M37-F59 WeakPolarHBondContact SD-CE1 3.36Å; M37-F59 HydrophobicContact SD-CE2 4.25Å; M37-F59 HydrophobicContact SD-CG 4.39Å; M37-F59 HydrophobicContact SD-CZ 3.48Å; M37-F59 WeakPolarHBondContact SD-CZ 3.39Å; M37-L62 HydrophobicContact CB-CD1 4.39Å
38	R	55	Low	50.7	Low	103 Å²	103	85.4 Å²	85.4	39%	0.389	42%	0.416	S	S	.	.	H	α-helix	trans	-57.3	-39.5	173.9	-77.1	175.8	179.4	161	-0.8	112.9	I34 N35 E36 C41 K42 L62	I34-R38 WeakPolarHBondContact O-CG 3.46Å; I34-R38 PolarHBondContact O-N 3.46Å; N35-R38 WeakPolarHBondContact O-CB 3.49Å; N35-R38 PolarHBondContact O-N 3.18Å; N35-R38 PolarHBondContact OD1-NH1 3.28Å; E36-R38 VanDerWaalsContact C-N 3.32Å; E36-R38 PolarHBondContact O-N 2.86Å; R38-C41 WeakPolarHBondContact O-CB 3.38Å; R38-K42 WeakPolarHBondContact O-CB 3.11Å; R38-K42 VanDerWaalsContact O-CG 3.3Å; R38-K42 WeakPolarHBondContact O-CG 3.44Å; R38-K42 PolarHBondContact O-N 3.43Å; R38-L62 HydrophobicContact CG-CD2 3.2Å
39	K	55.3	Low	50.1	Low	141 Å²	141	79.4 Å²	79.4	61%	0.613	40%	0.395	S	S	*	.	H	α-helix	trans	-67.9	-49.6	178.3	-76.5	179	179.6	180	0	111.1	N35 E36 M37 C41 K42 Q43	N35-K39 WeakPolarHBondContact O-CG 3.41Å; N35-K39 PolarHBondContact O-N 3.24Å; E36-K39 PolarHBondContact O-N 3.36Å; E36-K39 VanDerWaalsContact O-N 3.08Å; M37-K39 VanDerWaalsContact C-N 3.3Å; M37-K39 PolarHBondContact O-N 3.45Å; K39-C41 PolarHBondContact O-N 2.81Å; K39-K42 PolarHBondContact O-N 3.17Å; K39-Q43 WeakPolarHBondContact O-CG 3.27Å; K39-Q43 PolarHBondContact O-N 2.06Å
40	L	51.6	Low	49.7	Very low	68 Å²	68	87.5 Å²	87.5	36%	0.356	42%	0.423	S	S	.	.	H	α-helix	trans	-60.8	-38.1	177.5	-71.8	170	0	0	0	111.6	Y8 E36 M37 Q43 T44	Y8-L40 HydrophobicContact CE2-CD1 4.38Å; Y8-L40 WeakPolarHBondContact OH-CD1 3.25Å; E36-L40 WeakPolarHBondContact O-CG 3.33Å; E36-L40 PolarHBondContact O-N 3.39Å; M37-L40 PolarHBondContact O-N 3.22Å; L40-Q43 PolarHBondContact O-N 3.29Å; L40-T44 WeakPolarHBondContact O-CB 3.48Å; L40-T44 WeakPolarHBondContact O-CG2 3Å; L40-T44 PolarHBondContact O-N 3.29Å; L40-T44 PolarHBondContact O-OG1 3.1Å
41	C	50.1	Low	49.1	Very low	20 Å²	20	85.1 Å²	85.1	14%	0.135	41%	0.41	C	S	.	.	H	α-helix	trans	-57.7	-53.4	174.1	-172.4	0	0	0	0	112.7	M37 R38 K39 Q43 T44 R45 C47 C64	M37-C41 WeakPolarHBondContact O-CB 3.34Å; M37-C41 PolarHBondContact O-N 3.29Å; R38-C41 WeakPolarHBondContact O-CB 3.38Å; K39-C41 PolarHBondContact O-N 2.81Å; C41-Q43 VanDerWaalsContact C-N 3.27Å; C41-Q43 PolarHBondContact O-N 3.35Å; C41-T44 PolarHBondContact O-N 1.98Å; C41-R45 PolarHBondContact O-N 3.21Å; C41-C47 WeakPolarHBondContact CA-SG 3.33Å; C41-C47 HydrophobicContact CB-CB 3.73Å; C41-C47 WeakPolarHBondContact CB-SG 2.83Å; C41-C47 WeakPolarHBondContact SG-CB 3.33Å; C41-C47 CovalentContact SG-SG 1.98Å; C41-C47 PolarHBondContact SG-SG 3.47Å; C41-C64 PolarHBondContact SG-SG 3.31Å
42	K	50.5	Low	48.6	Very low	178 Å²	178	83.9 Å²	83.9	77%	0.774	40%	0.402	S	S	*	.	H	α-helix	trans	-61.5	-35.8	178.2	-76.5	179.4	177.7	-171.3	0	112.1	R38 K39	R38-K42 WeakPolarHBondContact O-CB 3.11Å; R38-K42 VanDerWaalsContact O-CG 3.3Å; R38-K42 WeakPolarHBondContact O-CG 3.44Å; R38-K42 PolarHBondContact O-N 3.43Å; K39-K42 PolarHBondContact O-N 3.17Å
43	Q	47.3	Very low	47.9	Very low	152 Å²	152	81 Å²	81	71%	0.71	39%	0.385	S	S	*	.	H	α-helix	trans	-73.2	-38.8	-179.4	-75	175.7	-22.8	0	0	113	K39 L40 C41	K39-Q43 WeakPolarHBondContact O-CG 3.27Å; K39-Q43 PolarHBondContact O-N 2.06Å; L40-Q43 PolarHBondContact O-N 3.29Å; C41-Q43 VanDerWaalsContact C-N 3.27Å; C41-Q43 PolarHBondContact O-N 3.35Å
44	T	46.5	Very low	47.3	Very low	65 Å²	65	80.5 Å²	80.5	40%	0.399	38%	0.382	S	S	.	.	H	α-helix	trans	-97.7	-13.3	-167.2	55.8	0	0	0	0	114.4	L40 C41 S46	L40-T44 WeakPolarHBondContact O-CB 3.48Å; L40-T44 WeakPolarHBondContact O-CG2 3Å; L40-T44 PolarHBondContact O-N 3.29Å; L40-T44 PolarHBondContact O-OG1 3.1Å; C41-T44 PolarHBondContact O-N 1.98Å; T44-S46 WeakPolarHBondContact O-CB 2.74Å; T44-S46 PolarHBondContact O-N 2.69Å; T44-S46 PolarHBondContact O-OG 3.23Å
45	R	45.2	Very low	47.3	Very low	224 Å²	224	86 Å²	86	85%	0.845	41%	0.41	S	S	*	.	S	Bend	trans	49	-1.7	-166.8	-70.2	-174.2	177.5	178.6	-1.1	114.9	C41 C47	C41-R45 PolarHBondContact O-N 3.21Å; R45-C47 VanDerWaalsContact C-N 3.26Å; R45-C47 PolarHBondContact O-N 2.87Å
46	S	43.9	Very low	46.8	Very low	74 Å²	74	83.2 Å²	83.2	52%	0.517	40%	0.396	S	S	.	.			trans	-97.2	20.8	-173.3	-59.6	0	0	0	0	111.5	T44 I48	T44-S46 WeakPolarHBondContact O-CB 2.74Å; T44-S46 PolarHBondContact O-N 2.69Å; T44-S46 PolarHBondContact O-OG 3.23Å; S46-I48 PolarHBondContact O-N 3.4Å
47	C	43	Very low	46.4	Very low	11 Å²	11	82.4 Å²	82.4	7%	0.074	40%	0.401	C	S	.	.	H	α-helix	trans	-71.5	-23.2	-165	-164.5	0	0	0	0	113.7	C41 R45 V49 R50 L51	C41-C47 WeakPolarHBondContact CA-SG 3.33Å; C41-C47 HydrophobicContact CB-CB 3.73Å; C41-C47 WeakPolarHBondContact CB-SG 2.83Å; C41-C47 WeakPolarHBondContact SG-CB 3.33Å; C41-C47 CovalentContact SG-SG 1.98Å; C41-C47 PolarHBondContact SG-SG 3.47Å; R45-C47 VanDerWaalsContact C-N 3.26Å; R45-C47 PolarHBondContact O-N 2.87Å; C47-V49 VanDerWaalsContact C-N 3.33Å; C47-V49 PolarHBondContact O-N 3.17Å; C47-R50 PolarHBondContact O-N 3.16Å; C47-L51 PolarHBondContact O-N 2.77Å; C47-L51 VanDerWaalsContact SG-CD1 3.5Å
48	I	39	Very low	46	Very low	26 Å²	26	82.5 Å²	82.5	13%	0.133	41%	0.405	C	S	.	.	H	α-helix	trans	-65.8	-36.1	-175.8	-61.7	149.5	0	0	0	111.2	S46 T52 E65 D67 L70	S46-I48 PolarHBondContact O-N 3.4Å; I48-T52 WeakPolarHBondContact O-CB 3.32Å; I48-T52 WeakPolarHBondContact O-CG2 3.47Å; I48-T52 PolarHBondContact O-N 3.39Å; I48-T52 PolarHBondContact O-OG1 2.99Å; I48-E65 WeakPolarHBondContact CD1-O 3.48Å; I48-D67 HydrophobicContact CD1-CB 3.57Å; I48-L70 HydrophobicContact CB-CD1 4.02Å; I48-L70 HydrophobicContact CD1-CD1 3.91Å; I48-L70 HydrophobicContact CG2-CD1 4.02Å
49	V	39.4	Very low	45.8	Very low	70 Å²	70	78.3 Å²	78.3	42%	0.424	39%	0.389	S	S	.	.	H	α-helix	trans	-78.1	-29.6	-176.3	-177.2	0	0	0	0	112.1	C47 L70	C47-V49 VanDerWaalsContact C-N 3.33Å; C47-V49 PolarHBondContact O-N 3.17Å; V49-L70 HydrophobicContact CG2-CD1 4.26Å; V49-L70 HydrophobicContact CG2-CD2 4.08Å
50	R	39.7	Very low	45.5	Very low	181 Å²	181	76.7 Å²	76.7	68%	0.683	38%	0.384	S	S	*	.	H	α-helix	trans	-87.9	-26.5	-175.1	-72	-174.1	175	-172.9	-1.2	113.9	C5 C47	C5-R50 PolarHBondContact SG-O 3.05Å; C47-R50 PolarHBondContact O-N 3.16Å
51	L	41.3	Very low	45.3	Very low	25 Å²	25	79.6 Å²	79.6	13%	0.131	40%	0.4	C	S	.	.	H	α-helix	trans	-90.8	-32.3	-179.5	-71.2	171.5	0	0	0	112.8	M37 C47 Q53 C54 F59 L62	M37-L51 HydrophobicContact SD-CD2 3.44Å; M37-L51 WeakPolarHBondContact SD-CD2 3.5Å; C47-L51 PolarHBondContact O-N 2.77Å; C47-L51 VanDerWaalsContact SG-CD1 3.5Å; L51-Q53 VanDerWaalsContact C-N 3.25Å; L51-Q53 PolarHBondContact O-N 3.26Å; L51-C54 PolarHBondContact O-N 3.05Å; L51-F59 HydrophobicContact CD2-CB 4.21Å; L51-F59 HydrophobicContact CD2-CD1 4.13Å; L51-F59 HydrophobicContact CD2-CG 4.08Å; L51-L62 HydrophobicContact CD1-CB 3.94Å; L51-L62 HydrophobicContact CD1-CD1 3.78Å; L51-L62 HydrophobicContact CD1-CG 4.49Å; L51-L62 HydrophobicContact CD2-CD1 3.74Å; L51-L62 HydrophobicContact CG-CD1 4.45Å
52	T	43.2	Very low	45.2	Very low	63 Å²	63	79.7 Å²	79.7	39%	0.387	40%	0.399	S	S	.	.	H	α-helix	trans	-65.4	-28.8	176.4	44.5	0	0	0	0	112.7	I48 C54 C92	I48-T52 WeakPolarHBondContact O-CB 3.32Å; I48-T52 WeakPolarHBondContact O-CG2 3.47Å; I48-T52 PolarHBondContact O-N 3.39Å; I48-T52 PolarHBondContact O-OG1 2.99Å; T52-C54 VanDerWaalsContact C-N 3.27Å; T52-C54 PolarHBondContact O-N 3.06Å; T52-C92 HydrophobicContact CG2-CB 4.26Å
53	Q	44.1	Very low	45	Very low	46 Å²	46	81 Å²	81	22%	0.215	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-8.5	173.1	-70.5	-173.6	-11.8	0	0	114.4	L51 V93	L51-Q53 VanDerWaalsContact C-N 3.25Å; L51-Q53 PolarHBondContact O-N 3.26Å; Q53-V93 WeakPolarHBondContact CG-OXT 3.49Å; Q53-V93 PolarHBondContact NE2-OXT 3.46Å
54	C	40.9	Very low	45	Very low	15 Å²	15	75.8 Å²	75.8	10%	0.101	38%	0.384	C	S	.	.			trans	-106.4	90.9	-179	-78.8	0	0	0	0	108.7	C5 L51 T52 S56 F59	C5-C54 VanDerWaalsContact CA-SG 3.52Å; C5-C54 HydrophobicContact CB-CB 4.19Å; C5-C54 WeakPolarHBondContact CB-SG 3.43Å; C5-C54 VanDerWaalsContact SG-CA 3.53Å; C5-C54 WeakPolarHBondContact SG-CB 3.21Å; C5-C54 PolarHBondContact SG-N 3.3Å; C5-C54 VanDerWaalsContact SG-N 3.35Å; C5-C54 CovalentContact SG-SG 2.06Å; C5-C54 PolarHBondContact SG-SG 3.35Å; L51-C54 PolarHBondContact O-N 3.05Å; T52-C54 VanDerWaalsContact C-N 3.27Å; T52-C54 PolarHBondContact O-N 3.06Å; C54-S56 PolarHBondContact O-N 3.42Å; C54-F59 HydrophobicContact CB-CD2 3.97Å; C54-F59 HydrophobicContact CB-CE2 4.18Å
55	I	51.7	Low	44.9	Very low	141 Å²	141	81.6 Å²	81.6	72%	0.723	41%	0.407	S	S	*	.			trans	-71.4	42.3	-178.4	-47.5	165.5	0	0	0	111.8
56	S	45.6	Very low	45	Very low	16 Å²	16	74.3 Å²	74.3	11%	0.112	39%	0.387	C	S	.	.			trans	-102.3	127.9	176.3	-173.8	0	0	0	0	110.3	C54 A58 F59	C54-S56 PolarHBondContact O-N 3.42Å; S56-A58 PolarHBondContact O-N 3.19Å; S56-A58 PolarHBondContact OG-N 2.89Å; S56-F59 PolarHBondContact O-N 3.37Å
57	P	49	Very low	45	Very low	95 Å²	95	73.9 Å²	73.9	62%	0.617	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-51.4	-24.9	170.7	-26.2	33.9	0	0	0	113.3	F59 E60	P57-F59 PolarHBondContact O-N 3.49Å; P57-F59 VanDerWaalsContact O-N 3.16Å; P57-E60 WeakPolarHBondContact O-CB 3.36Å; P57-E60 PolarHBondContact O-N 3.33Å
58	A	44.4	Very low	45	Very low	19 Å²	19	78.1 Å²	78.1	16%	0.157	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-69.5	-9.3	-179.1	0	0	0	0	0	114.7	A29 S56	A29-A58 HydrophobicContact CB-CB 3.26Å; S56-A58 PolarHBondContact O-N 3.19Å; S56-A58 PolarHBondContact OG-N 2.89Å
59	F	49.6	Very low	45.2	Very low	14 Å²	14	81.3 Å²	81.3	6%	0.061	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-108.4	1.1	174.9	-57	-57	0	0	0	113.3	A9 I34 M37 L51 C54 S56 P57 D61 L62	A9-F59 HydrophobicContact CB-CE2 4.31Å; A9-F59 HydrophobicContact CB-CZ 4.46Å; I34-F59 HydrophobicContact CG1-CE1 4.27Å; M37-F59 HydrophobicContact CE-CE1 3.69Å; M37-F59 HydrophobicContact CE-CE2 3.97Å; M37-F59 HydrophobicContact CE-CZ 3.34Å; M37-F59 HydrophobicContact CG-CE1 4.35Å; M37-F59 HydrophobicContact SD-CD1 3.63Å; M37-F59 HydrophobicContact SD-CE1 3.11Å; M37-F59 WeakPolarHBondContact SD-CE1 3.36Å; M37-F59 HydrophobicContact SD-CE2 4.25Å; M37-F59 HydrophobicContact SD-CG 4.39Å; M37-F59 HydrophobicContact SD-CZ 3.48Å; M37-F59 WeakPolarHBondContact SD-CZ 3.39Å; L51-F59 HydrophobicContact CD2-CB 4.21Å; L51-F59 HydrophobicContact CD2-CD1 4.13Å; L51-F59 HydrophobicContact CD2-CG 4.08Å; C54-F59 HydrophobicContact CB-CD2 3.97Å; C54-F59 HydrophobicContact CB-CE2 4.18Å; S56-F59 PolarHBondContact O-N 3.37Å; P57-F59 PolarHBondContact O-N 3.49Å; P57-F59 VanDerWaalsContact O-N 3.16Å; F59-D61 PolarHBondContact O-N 2.63Å; F59-L62 HydrophobicContact CB-CD1 4.16Å; F59-L62 HydrophobicContact CD1-CD1 3.62Å; F59-L62 HydrophobicContact CG-CD1 4.31Å; F59-L62 WeakPolarHBondContact O-CB 3.13Å; F59-L62 PolarHBondContact O-N 3.44Å
60	E	50.2	Low	45.5	Very low	107 Å²	107	80.3 Å²	80.3	50%	0.5	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-28.2	176.4	-73.7	-168.3	134.3	0	0	112.5	P57 L62 R84	P57-E60 WeakPolarHBondContact O-CB 3.36Å; P57-E60 PolarHBondContact O-N 3.33Å; E60-L62 PolarHBondContact O-N 3.42Å; E60-R84 IonicContact OE1-CZ 2.67Å; E60-R84 IonicContact OE1-NH1 3.33Å; E60-R84 PolarHBondContact OE1-NH1 2.97Å; E60-R84 IonicContact OE1-NH2 2.76Å; E60-R84 PolarHBondContact OE1-NH2 3.37Å
61	D	47.7	Very low	45.7	Very low	130 Å²	130	74.3 Å²	74.3	70%	0.695	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-2.2	177	-65	-28.6	0	0	0	113.7	F59 K63	F59-D61 PolarHBondContact O-N 2.63Å; D61-K63 VanDerWaalsContact C-N 3.35Å; D61-K63 PolarHBondContact O-N 3.3Å
62	L	47.9	Very low	45.6	Very low	22 Å²	22	79.6 Å²	79.6	12%	0.115	42%	0.422	C	S	.	.			trans	-92.1	69.6	173.8	-60.4	177.2	0	0	0	109.5	I34 M37 R38 L51 F59 E60 C64	I34-L62 HydrophobicContact CG2-CD1 4.46Å; I34-L62 HydrophobicContact CG2-CD2 4.03Å; I34-L62 HydrophobicContact CG2-CG 4.44Å; M37-L62 HydrophobicContact CB-CD1 4.39Å; R38-L62 HydrophobicContact CG-CD2 3.2Å; L51-L62 HydrophobicContact CD1-CB 3.94Å; L51-L62 HydrophobicContact CD1-CD1 3.78Å; L51-L62 HydrophobicContact CD1-CG 4.49Å; L51-L62 HydrophobicContact CD2-CD1 3.74Å; L51-L62 HydrophobicContact CG-CD1 4.45Å; F59-L62 HydrophobicContact CB-CD1 4.16Å; F59-L62 HydrophobicContact CD1-CD1 3.62Å; F59-L62 HydrophobicContact CG-CD1 4.31Å; F59-L62 WeakPolarHBondContact O-CB 3.13Å; F59-L62 PolarHBondContact O-N 3.44Å; E60-L62 PolarHBondContact O-N 3.42Å; L62-C64 VanDerWaalsContact C-N 3.32Å; L62-C64 PolarHBondContact O-N 3.39Å
63	K	46.5	Very low	45.5	Very low	205 Å²	205	81.2 Å²	81.2	89%	0.891	43%	0.426	S	S	*	.			trans	-65	90.9	168.2	-67.1	-173.4	179.5	-172.9	0	109.3	D61	D61-K63 VanDerWaalsContact C-N 3.35Å; D61-K63 PolarHBondContact O-N 3.3Å
64	C	47.4	Very low	45.3	Very low	43 Å²	43	79.8 Å²	79.8	29%	0.291	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-91.8	127.7	167.9	-60	0	0	0	0	108.3	C41 L62 V66	C41-C64 PolarHBondContact SG-SG 3.31Å; L62-C64 VanDerWaalsContact C-N 3.32Å; L62-C64 PolarHBondContact O-N 3.39Å; C64-V66 PolarHBondContact O-N 3.23Å
65	E	43.5	Very low	45.1	Very low	187 Å²	187	85 Å²	85	87%	0.874	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-51.2	125.3	173.1	-70.5	177	167.3	0	0	109.3	I48 D67	I48-E65 WeakPolarHBondContact CD1-O 3.48Å; E65-D67 PolarHBondContact O-N 3.4Å
66	V	47.5	Very low	44.6	Very low	70 Å²	70	84.4 Å²	84.4	42%	0.424	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-72.5	122	179.9	-173.9	0	0	0	0	108.4	C64 I71 V81	C64-V66 PolarHBondContact O-N 3.23Å; V66-I71 HydrophobicContact CB-CD1 4.21Å; V66-I71 HydrophobicContact CB-CG1 4.41Å; V66-I71 HydrophobicContact CG1-CD1 3.8Å; V66-I71 HydrophobicContact CG1-CG1 3.48Å; V66-I71 VanDerWaalsContact CG1-CG1 3.48Å; V66-V81 HydrophobicContact CG1-CG1 4.2Å
67	D	44.1	Very low	44.1	Very low	65 Å²	65	90.4 Å²	90.4	35%	0.348	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-62.2	124.8	177.5	-172.9	-35.9	0	0	0	109.9	I48 E65 V69 L70 I71	I48-D67 HydrophobicContact CD1-CB 3.57Å; E65-D67 PolarHBondContact O-N 3.4Å; D67-V69 PolarHBondContact O-N 2.78Å; D67-V69 VanDerWaalsContact O-N 3.11Å; D67-V69 VanDerWaalsContact OD1-CB 3.26Å; D67-V69 WeakPolarHBondContact OD1-CB 3.44Å; D67-V69 WeakPolarHBondContact OD1-CG2 3.4Å; D67-V69 PolarHBondContact OD1-N 2.94Å; D67-L70 HydrophobicContact CB-CB 4.27Å; D67-L70 HydrophobicContact CB-CD1 3.98Å; D67-L70 WeakPolarHBondContact O-CB 3.29Å; D67-L70 PolarHBondContact O-N 2.86Å; D67-I71 PolarHBondContact O-N 2.81Å; D67-I71 VanDerWaalsContact O-N 3.14Å
68	P	41.9	Very low	43.4	Very low	100 Å²	100	93.4 Å²	93.4	65%	0.649	48%	0.477	S	S	*	.	H	α-helix	trans	-54.5	-28.6	177.7	-24.7	32.7	0	0	0	114.1	K72	P68-K72 WeakPolarHBondContact O-CB 3.26Å; P68-K72 PolarHBondContact O-N 3.31Å
69	V	44.5	Very low	42.7	Very low	93 Å²	93	96 Å²	96	56%	0.564	49%	0.488	S	S	*	.	H	α-helix	trans	-68.6	-41.2	176.4	-179.6	0	0	0	0	110.9	D67 K72 M73	D67-V69 PolarHBondContact O-N 2.78Å; D67-V69 VanDerWaalsContact O-N 3.11Å; D67-V69 VanDerWaalsContact OD1-CB 3.26Å; D67-V69 WeakPolarHBondContact OD1-CB 3.44Å; D67-V69 WeakPolarHBondContact OD1-CG2 3.4Å; D67-V69 PolarHBondContact OD1-N 2.94Å; V69-K72 PolarHBondContact O-N 2.9Å; V69-M73 WeakPolarHBondContact O-CG 3.13Å; V69-M73 PolarHBondContact O-N 2.88Å
70	L	44.1	Very low	42.1	Very low	49 Å²	49	101.5 Å²	101.5	26%	0.257	51%	0.514	S	S	.	.	H	α-helix	trans	-66.9	-39.8	176.3	-94.2	147.3	0	0	0	111.4	I48 V49 D67 K72 M73 C74	I48-L70 HydrophobicContact CB-CD1 4.02Å; I48-L70 HydrophobicContact CD1-CD1 3.91Å; I48-L70 HydrophobicContact CG2-CD1 4.02Å; V49-L70 HydrophobicContact CG2-CD1 4.26Å; V49-L70 HydrophobicContact CG2-CD2 4.08Å; D67-L70 HydrophobicContact CB-CB 4.27Å; D67-L70 HydrophobicContact CB-CD1 3.98Å; D67-L70 WeakPolarHBondContact O-CB 3.29Å; D67-L70 PolarHBondContact O-N 2.86Å; L70-K72 VanDerWaalsContact C-N 3.31Å; L70-K72 PolarHBondContact O-N 2.98Å; L70-M73 PolarHBondContact O-N 3.33Å; L70-C74 WeakPolarHBondContact O-CB 3.42Å; L70-C74 PolarHBondContact O-N 2.85Å; L70-C74 PolarHBondContact O-SG 3.29Å
71	I	45	Very low	41.5	Very low	55 Å²	55	98.8 Å²	98.8	28%	0.282	50%	0.504	S	S	.	.	H	α-helix	trans	-57.7	-46.9	172	-61.2	177.1	0	0	0	110.4	V66 D67 C74 Q75 V81	V66-I71 HydrophobicContact CB-CD1 4.21Å; V66-I71 HydrophobicContact CB-CG1 4.41Å; V66-I71 HydrophobicContact CG1-CD1 3.8Å; V66-I71 HydrophobicContact CG1-CG1 3.48Å; V66-I71 VanDerWaalsContact CG1-CG1 3.48Å; D67-I71 PolarHBondContact O-N 2.81Å; D67-I71 VanDerWaalsContact O-N 3.14Å; I71-C74 PolarHBondContact O-N 3.11Å; I71-Q75 VanDerWaalsContact O-CG 3.29Å; I71-Q75 WeakPolarHBondContact O-CG 3.42Å; I71-Q75 PolarHBondContact O-N 2.92Å; I71-V81 HydrophobicContact CG1-CG1 4.37Å
72	K	39.9	Very low	41	Very low	137 Å²	137	95.8 Å²	95.8	60%	0.596	49%	0.485	S	S	*	.	H	α-helix	trans	-67.3	-37.4	-179.6	-164.8	166.9	-175.6	174.9	0	112.5	P68 V69 L70 Q75 N76	P68-K72 WeakPolarHBondContact O-CB 3.26Å; P68-K72 PolarHBondContact O-N 3.31Å; V69-K72 PolarHBondContact O-N 2.9Å; L70-K72 VanDerWaalsContact C-N 3.31Å; L70-K72 PolarHBondContact O-N 2.98Å; K72-Q75 PolarHBondContact O-N 2.54Å; K72-N76 PolarHBondContact O-N 3.49Å; K72-N76 PolarHBondContact O-ND2 3.36Å; K72-N76 PolarHBondContact O-OD1 3.14Å
73	M	39.7	Very low	40.6	Very low	96 Å²	96	101.5 Å²	101.5	47%	0.473	52%	0.516	S	S	.	.	H	α-helix	trans	-64.2	-48.3	172.5	-76.1	-174.5	77.4	0	0	111.1	V69 L70 Q75 N76 F77	V69-M73 WeakPolarHBondContact O-CG 3.13Å; V69-M73 PolarHBondContact O-N 2.88Å; L70-M73 PolarHBondContact O-N 3.33Å; M73-Q75 VanDerWaalsContact C-N 3.31Å; M73-Q75 PolarHBondContact O-N 2.79Å; M73-N76 WeakPolarHBondContact O-CB 3.42Å; M73-N76 PolarHBondContact O-N 3.29Å; M73-N76 VanDerWaalsContact O-N 3.11Å; M73-F77 HydrophobicContact CE-CE2 4.29Å; M73-F77 WeakPolarHBondContact O-CD2 3.39Å; M73-F77 PolarHBondContact O-N 2.74Å
74	C	40.5	Very low	40.2	Very low	16 Å²	16	101.4 Å²	101.4	11%	0.108	51%	0.51	C	S	.	.	H	α-helix	trans	-56.9	-45.5	175.7	-72.1	0	0	0	0	111.2	L70 I71 N76 F77 N78 I79 V81	L70-C74 WeakPolarHBondContact O-CB 3.42Å; L70-C74 PolarHBondContact O-N 2.85Å; L70-C74 PolarHBondContact O-SG 3.29Å; I71-C74 PolarHBondContact O-N 3.11Å; C74-N76 PolarHBondContact O-N 3.44Å; C74-F77 CarbonylContact O-C 3.5Å; C74-F77 PolarHBondContact O-N 3.05Å; C74-F77 VanDerWaalsContact O-N 3.15Å; C74-N78 PolarHBondContact O-N 3.07Å; C74-I79 CarbonylContact C-O 3.54Å; C74-I79 HydrophobicContact CB-CB 3.88Å; C74-I79 HydrophobicContact CB-CG2 4.1Å; C74-I79 WeakPolarHBondContact CB-O 3.34Å; C74-I79 WeakPolarHBondContact O-CA 3.24Å; C74-I79 WeakPolarHBondContact O-CB 2.77Å; C74-I79 PolarHBondContact O-N 3.38Å; C74-I79 VanDerWaalsContact O-O 3.05Å; C74-V81 HydrophobicContact CB-CG2 3.29Å
75	Q	36.7	Very low	39.9	Very low	126 Å²	126	107.6 Å²	107.6	59%	0.589	53%	0.534	S	S	*	.	H	α-helix	trans	-57.6	-43.3	174.1	-73.8	172.5	-11.2	0	0	112.9	I71 K72 M73 F77 N78	I71-Q75 VanDerWaalsContact O-CG 3.29Å; I71-Q75 WeakPolarHBondContact O-CG 3.42Å; I71-Q75 PolarHBondContact O-N 2.92Å; K72-Q75 PolarHBondContact O-N 2.54Å; M73-Q75 VanDerWaalsContact C-N 3.31Å; M73-Q75 PolarHBondContact O-N 2.79Å; Q75-F77 VanDerWaalsContact C-N 3.27Å; Q75-F77 PolarHBondContact O-N 3.17Å; Q75-N78 PolarHBondContact O-N 3.15Å; Q75-N78 VanDerWaalsContact O-N 3.07Å
76	N	41.8	Very low	39.7	Very low	127 Å²	127	105.9 Å²	105.9	68%	0.679	53%	0.531	S	S	*	.	H	α-helix	trans	-63.8	-31.2	178	-70.8	-14	0	0	0	113.1	K72 M73 C74 N78	K72-N76 PolarHBondContact O-N 3.49Å; K72-N76 PolarHBondContact O-ND2 3.36Å; K72-N76 PolarHBondContact O-OD1 3.14Å; M73-N76 WeakPolarHBondContact O-CB 3.42Å; M73-N76 PolarHBondContact O-N 3.29Å; M73-N76 VanDerWaalsContact O-N 3.11Å; C74-N76 PolarHBondContact O-N 3.44Å; N76-N78 VanDerWaalsContact C-N 3.32Å
77	F	34.4	Very low	39.2	Very low	143 Å²	143	106.9 Å²	106.9	63%	0.627	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	10.3	176	-69.5	-71.7	0	0	0	113.2	M73 C74 Q75 I79	M73-F77 HydrophobicContact CE-CE2 4.29Å; M73-F77 WeakPolarHBondContact O-CD2 3.39Å; M73-F77 PolarHBondContact O-N 2.74Å; C74-F77 CarbonylContact O-C 3.5Å; C74-F77 PolarHBondContact O-N 3.05Å; C74-F77 VanDerWaalsContact O-N 3.15Å; Q75-F77 VanDerWaalsContact C-N 3.27Å; Q75-F77 PolarHBondContact O-N 3.17Å; F77-I79 HydrophobicContact CB-CD1 3.66Å; F77-I79 HydrophobicContact CB-CG1 3.84Å; F77-I79 PolarHBondContact O-N 3.36Å
78	N	34.5	Very low	38.4	Very low	158 Å²	158	110.7 Å²	110.7	85%	0.845	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	59.8	27.1	-175.6	-127	10.7	0	0	0	113.7	C74 Q75 N76	C74-N78 PolarHBondContact O-N 3.07Å; Q75-N78 PolarHBondContact O-N 3.15Å; Q75-N78 VanDerWaalsContact O-N 3.07Å; N76-N78 VanDerWaalsContact C-N 3.32Å
79	I	30	Very low	37.7	Very low	73 Å²	73	114.7 Å²	114.7	37%	0.374	57%	0.567	S	S	.	*			trans	-95	120.8	176.9	-54.8	171.9	0	0	0	107.7	C74 F77 V81	C74-I79 CarbonylContact C-O 3.54Å; C74-I79 HydrophobicContact CB-CB 3.88Å; C74-I79 HydrophobicContact CB-CG2 4.1Å; C74-I79 WeakPolarHBondContact CB-O 3.34Å; C74-I79 WeakPolarHBondContact O-CA 3.24Å; C74-I79 WeakPolarHBondContact O-CB 2.77Å; C74-I79 PolarHBondContact O-N 3.38Å; C74-I79 VanDerWaalsContact O-O 3.05Å; F77-I79 HydrophobicContact CB-CD1 3.66Å; F77-I79 HydrophobicContact CB-CG1 3.84Å; F77-I79 PolarHBondContact O-N 3.36Å; I79-V81 PolarHBondContact O-N 3.07Å
80	Q	35.8	Very low	36.9	Very low	130 Å²	130	113.4 Å²	113.4	61%	0.607	56%	0.56	S	S	*	*			trans	-85	115.7	179.8	-64.9	-178.9	24	0	0	110.4	T90	Q80-T90 HydrophobicContact CB-CG2 4.41Å; Q80-T90 WeakPolarHBondContact O-CG2 3.47Å
81	V	38.7	Very low	36.2	Very low	50 Å²	50	117.3 Å²	117.3	30%	0.303	58%	0.58	S	S	.	*			trans	-84	127.6	169.1	-174.7	0	0	0	0	108.3	V66 I71 C74 I79	V66-V81 HydrophobicContact CG1-CG1 4.2Å; I71-V81 HydrophobicContact CG1-CG1 4.37Å; C74-V81 HydrophobicContact CB-CG2 3.29Å; I79-V81 PolarHBondContact O-N 3.07Å
82	K	37.3	Very low	35.4	Very low	66 Å²	66	116.5 Å²	116.5	29%	0.287	58%	0.578	S	S	.	*			trans	-114	113.8	-179.5	-82.5	149.2	108.2	-80.9	0	111.6	S87 I88 K89	K82-S87 WeakPolarHBondContact CE-O 3.36Å; K82-S87 PolarHBondContact NZ-O 3.4Å; K82-I88 WeakPolarHBondContact CE-O 3.35Å; K82-I88 PolarHBondContact NZ-O 3.11Å; K82-K89 VanDerWaalsContact CE-C 3.48Å; K82-K89 VanDerWaalsContact CE-O 3.24Å; K82-K89 WeakPolarHBondContact CE-O 3.37Å
83	D	38.2	Very low	34.9	Very low	142 Å²	142	116.6 Å²	116.6	76%	0.759	59%	0.59	S	S	*	*			trans	-69.3	127.5	161.2	-158.9	-10.6	0	0	0	108.5	E85	D83-E85 PolarHBondContact O-N 3.47Å
84	R	39.8	Very low	34.7	Very low	204 Å²	204	117.7 Å²	117.7	77%	0.77	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	72	-178.8	-90.6	-166.7	-176.9	174.6	6.4	109.2	E60	E60-R84 IonicContact OE1-CZ 2.67Å; E60-R84 IonicContact OE1-NH1 3.33Å; E60-R84 PolarHBondContact OE1-NH1 2.97Å; E60-R84 IonicContact OE1-NH2 2.76Å; E60-R84 PolarHBondContact OE1-NH2 3.37Å
85	E	41.1	Very low	34.4	Very low	173 Å²	173	123 Å²	123	81%	0.808	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.4	-9.9	157.5	-84.3	-161.3	159.8	0	0	115.5	D83	D83-E85 PolarHBondContact O-N 3.47Å
86	N	37.9	Very low	34.3	Very low	150 Å²	150	122.8 Å²	122.8	80%	0.802	62%	0.624	S	S	*	*	S	Bend	trans	-166.6	125.1	170.5	-99.2	-34.8	0	0	0	112.9
87	S	36.3	Very low	33.8	Very low	91 Å²	91	122.6 Å²	122.6	64%	0.636	62%	0.62	S	S	*	*			trans	91.5	129.4	163.2	84.1	0	0	0	0	118.9	K82	K82-S87 WeakPolarHBondContact CE-O 3.36Å; K82-S87 PolarHBondContact NZ-O 3.4Å
88	I	27.4	Very low	33.8	Very low	145 Å²	145	121.3 Å²	121.3	74%	0.744	62%	0.62	S	S	*	*	S	Bend	trans	29.7	100.2	138.2	-47.7	173.6	0	0	0	120.1	K82	K82-I88 WeakPolarHBondContact CE-O 3.35Å; K82-I88 PolarHBondContact NZ-O 3.11Å
89	K	27.1	Very low	33.8	Very low	184 Å²	184	118.9 Å²	118.9	80%	0.8	61%	0.605	S	S	*	*			trans	46.8	113.8	153.3	-62.9	178.9	176.6	179.4	0	118.9	K82	K82-K89 VanDerWaalsContact CE-C 3.48Å; K82-K89 VanDerWaalsContact CE-O 3.24Å; K82-K89 WeakPolarHBondContact CE-O 3.37Å
90	T	27.7	Very low	34	Very low	66 Å²	66	122.1 Å²	122.1	41%	0.405	62%	0.621	S	S	.	*			trans	-172.1	134.6	138.1	-61.7	0	0	0	0	108	Q80	Q80-T90 HydrophobicContact CB-CG2 4.41Å; Q80-T90 WeakPolarHBondContact O-CG2 3.47Å
91	I	29.9	Very low	33.9	Very low	132 Å²	132	121.5 Å²	121.5	68%	0.677	62%	0.622	S	S	*	*			trans	-106.4	134.2	-179.4	-66	165.9	0	0	0	106.6
92	C	28.2	Very low	33.5	Very low	38 Å²	38	127.5 Å²	127.5	26%	0.257	65%	0.649	S	S	.	*			trans	-79.8	123.9	164.5	-92.3	0	0	0	0	108.5	T52	T52-C92 HydrophobicContact CG2-CB 4.26Å
93	V	30.8	Very low	33.1	Very low	139 Å²	139	133.1 Å²	133.1	84%	0.842	68%	0.682	S	S	*	*			trans	-87.5	0	160.7	-164.7	0	0	0	0	108.2	Q53	Q53-V93 WeakPolarHBondContact CG-OXT 3.49Å; Q53-V93 PolarHBondContact NE2-OXT 3.46Å

Retrieved 93 of 93 residues in 23.9 ms (Link to these results)

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