A0A5K4F848_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A5K4F848, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 84 aa.

						>A0A5K4F848_SCHMA|A0A5K4F848
MKNKTKPYGISTTLCFVFLDTRSLACEYKDFRTVPTIGSLMFGFKNYVYEALKSKIYRISIGQYSGLNKSVPVNNVYIYKPVIF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.9	Very low	43.8	Very low	247 Å²	247	143.1 Å²	143.1	100%	1.217	72%	0.721	S	S	*	*				0	116.7	0	-73.9	168.7	168.4	0	0	108.6
2	K	33.3	Very low	44.7	Very low	201 Å²	201	131.3 Å²	131.3	87%	0.874	66%	0.662	S	S	*	*			trans	-83	116.1	176.7	-74.3	-177.7	179.4	-178.7	0	108.7	K4	K2-K4 PolarHBondContact O-N 2.99Å
3	N	39.9	Very low	45.5	Very low	165 Å²	165	122.5 Å²	122.5	88%	0.882	62%	0.619	S	S	*	*			trans	-68	95.7	177.2	-138.4	5.5	0	0	0	108.6	T5	N3-T5 PolarHBondContact O-N 3.03Å
4	K	39.4	Very low	46.4	Very low	186 Å²	186	114.3 Å²	114.3	81%	0.809	58%	0.578	S	S	*	*			trans	-80.5	95	174.6	-74.3	-175.1	179.1	-179.3	0	108	K2 K6	K2-K4 PolarHBondContact O-N 2.99Å; K4-K6 PolarHBondContact O-N 3.23Å
5	T	47.3	Very low	46.8	Very low	122 Å²	122	108.6 Å²	108.6	75%	0.748	55%	0.552	S	S	*	*			trans	-57.1	108.5	166.5	-24	0	0	0	0	107.7	N3	N3-T5 PolarHBondContact O-N 3.03Å
6	K	45.9	Very low	47.1	Very low	170 Å²	170	101.9 Å²	101.9	74%	0.739	52%	0.518	S	S	*	.			trans	-64.2	139.4	172	-71.9	-179.1	180	178.1	0	107.7	K4 Y8	K4-K6 PolarHBondContact O-N 3.23Å; K6-Y8 PolarHBondContact O-N 3.15Å
7	P	45.6	Very low	47.2	Very low	127 Å²	127	98.5 Å²	98.5	83%	0.825	50%	0.503	S	S	*	.			trans	-58.5	113.4	170.2	24.4	-31.3	0	0	0	107.8	G9	P7-G9 PolarHBondContact O-N 3Å; P7-G9 VanDerWaalsContact O-N 3.15Å
8	Y	44.9	Very low	47.4	Very low	201 Å²	201	95.8 Å²	95.8	79%	0.788	49%	0.487	S	S	*	.			trans	-70.5	108.3	173.5	-81.5	-90.5	0	0	0	107.4	K6	K6-Y8 PolarHBondContact O-N 3.15Å
9	G	46.5	Very low	47.2	Very low	41 Å²	41	95.9 Å²	95.9	42%	0.423	49%	0.489	S	S	.	.			trans	-66.2	142.8	167.9	0	0	0	0	0	110	P7	P7-G9 PolarHBondContact O-N 3Å; P7-G9 VanDerWaalsContact O-N 3.15Å
10	I	50.9	Low	47.3	Very low	90 Å²	90	96.9 Å²	96.9	46%	0.462	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	112.3	174.2	-58	172.5	0	0	0	107
11	S	51.8	Low	47.2	Very low	24 Å²	24	95.5 Å²	95.5	17%	0.168	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	126	170.2	-54.4	0	0	0	0	108.4	Y28 D30 Y64	S11-Y28 VanDerWaalsContact CB-OH 3.24Å; S11-Y28 WeakPolarHBondContact CB-OH 3.35Å; S11-D30 PolarHBondContact OG-OD1 2.79Å; S11-Y64 CarbonylContact O-C 3.59Å; S11-Y64 WeakPolarHBondContact O-CA 3.23Å; S11-Y64 WeakPolarHBondContact O-CB 3.5Å; S11-Y64 PolarHBondContact O-N 2.67Å
12	T	54.1	Low	47.8	Very low	2 Å²	2	96.3 Å²	96.3	1%	0.012	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.5	-178	-58.5	0	0	0	0	108.7	L14 K29 I61 G62 Q63	T12-L14 HydrophobicContact CG2-CD1 4.48Å; T12-K29 PolarHBondContact N-O 2.98Å; T12-K29 PolarHBondContact O-N 3.27Å; T12-I61 HydrophobicContact CG2-CG2 3.58Å; T12-G62 CarbonylContact C-O 3.53Å; T12-G62 WeakPolarHBondContact CA-O 3.22Å; T12-G62 WeakPolarHBondContact CG2-O 3.3Å; T12-Q63 HydrophobicContact CG2-CG 4.41Å
13	T	55.1	Low	48.4	Very low	17 Å²	17	90 Å²	90	10%	0.104	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128.2	172.6	-59.6	0	0	0	0	109.2	Y28 G62 Y64	T13-Y28 HydrophobicContact CG2-CD2 4.42Å; T13-Y28 WeakPolarHBondContact OG1-CD2 3.38Å; T13-Y28 WeakPolarHBondContact OG1-CE2 3.38Å; T13-G62 PolarHBondContact N-O 3.24Å; T13-G62 PolarHBondContact O-N 3.09Å; T13-Y64 HydrophobicContact CG2-CE2 4.37Å; T13-Y64 WeakPolarHBondContact OG1-CD2 3.47Å; T13-Y64 WeakPolarHBondContact OG1-CE2 3.24Å
14	L	57.6	Low	49	Very low	7 Å²	7	87.3 Å²	87.3	4%	0.037	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.5	166.9	-84.6	95	0	0	0	110.1	T12 F16 C26 E27 F31 F44	T12-L14 HydrophobicContact CG2-CD1 4.48Å; L14-F16 HydrophobicContact CB-CD2 4.48Å; L14-F16 HydrophobicContact CB-CE2 3.72Å; L14-F16 HydrophobicContact CB-CZ 4.05Å; L14-F16 HydrophobicContact CD2-CE1 4.05Å; L14-F16 HydrophobicContact CD2-CE2 3.83Å; L14-F16 HydrophobicContact CD2-CZ 3.26Å; L14-F16 HydrophobicContact CG-CE2 4.47Å; L14-F16 HydrophobicContact CG-CZ 4.32Å; L14-C26 CarbonylContact O-C 3.56Å; L14-C26 WeakPolarHBondContact O-CA 3.26Å; L14-E27 PolarHBondContact N-O 2.9Å; L14-E27 CarbonylContact O-C 3.49Å; L14-E27 PolarHBondContact O-N 2.98Å; L14-F31 HydrophobicContact CD1-CE2 4.19Å; L14-F31 HydrophobicContact CD1-CZ 4.44Å; L14-F44 HydrophobicContact CD1-CE1 3.68Å; L14-F44 HydrophobicContact CD1-CE2 3.82Å; L14-F44 HydrophobicContact CD1-CZ 3.15Å; L14-F44 HydrophobicContact CD2-CD1 3.87Å; L14-F44 HydrophobicContact CD2-CE1 3.42Å; L14-F44 VanDerWaalsContact CD2-CE1 3.42Å; L14-F44 HydrophobicContact CD2-CE2 4.42Å; L14-F44 HydrophobicContact CD2-CZ 3.78Å; L14-F44 HydrophobicContact CG-CE1 3.8Å; L14-F44 HydrophobicContact CG-CZ 3.83Å
15	C	52.4	Low	49.7	Very low	29 Å²	29	80.4 Å²	80.4	20%	0.196	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.2	168.8	-73.8	0	0	0	0	110.2	L24 C26 S60	C15-L24 HydrophobicContact CB-CD1 4.34Å; C15-C26 HydrophobicContact CB-CB 4.13Å; C15-C26 WeakPolarHBondContact CB-SG 3.39Å; C15-C26 WeakPolarHBondContact SG-CB 3.07Å; C15-C26 CovalentContact SG-SG 2.05Å; C15-C26 PolarHBondContact SG-SG 3.46Å; C15-S60 PolarHBondContact N-O 2.91Å; C15-S60 PolarHBondContact O-N 3.2Å
16	F	52.7	Low	50	Low	2 Å²	2	77.7 Å²	77.7	1%	0.009	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.6	177.1	-60.8	-82.6	0	0	0	109.7	L14 F18 A25 Y47 I56 I59	L14-F16 HydrophobicContact CB-CD2 4.48Å; L14-F16 HydrophobicContact CB-CE2 3.72Å; L14-F16 HydrophobicContact CB-CZ 4.05Å; L14-F16 HydrophobicContact CD2-CE1 4.05Å; L14-F16 HydrophobicContact CD2-CE2 3.83Å; L14-F16 HydrophobicContact CD2-CZ 3.26Å; L14-F16 HydrophobicContact CG-CE2 4.47Å; L14-F16 HydrophobicContact CG-CZ 4.32Å; F16-F18 HydrophobicContact CB-CD2 4.4Å; F16-F18 HydrophobicContact CB-CE2 3.67Å; F16-F18 HydrophobicContact CB-CZ 4.09Å; F16-A25 WeakPolarHBondContact CA-O 3.19Å; F16-A25 WeakPolarHBondContact CB-O 3.32Å; F16-A25 PolarHBondContact N-O 3.48Å; F16-A25 PolarHBondContact O-N 3.28Å; F16-Y47 HydrophobicContact CD1-CE1 4.33Å; F16-Y47 HydrophobicContact CD2-CE1 4.02Å; F16-Y47 AromaticContact CE1-CD1 3.76Å; F16-Y47 HydrophobicContact CE1-CD1 3.76Å; F16-Y47 AromaticContact CE1-CE1 3.65Å; F16-Y47 HydrophobicContact CE1-CE1 3.65Å; F16-Y47 AromaticContact CE2-CD1 3.97Å; F16-Y47 HydrophobicContact CE2-CD1 3.97Å; F16-Y47 AromaticContact CE2-CE1 3.27Å; F16-Y47 HydrophobicContact CE2-CE1 3.27Å; F16-Y47 AromaticContact CE2-CZ 3.98Å; F16-Y47 HydrophobicContact CG-CE1 4.49Å; F16-Y47 AromaticContact CZ-CD1 3.26Å; F16-Y47 HydrophobicContact CZ-CD1 3.26Å; F16-Y47 AromaticContact CZ-CE1 3.04Å; F16-Y47 HydrophobicContact CZ-CE1 3.04Å; F16-Y47 HydrophobicContact CZ-CG 4.48Å; F16-I56 HydrophobicContact CB-CD1 4.18Å; F16-I56 HydrophobicContact CD1-CD1 3.9Å; F16-I56 HydrophobicContact CG-CD1 4.36Å; F16-I59 HydrophobicContact CD1-CD1 4.42Å; F16-I59 HydrophobicContact CD1-CG1 4.11Å; F16-I59 HydrophobicContact CD1-CG2 4.3Å; F16-I59 HydrophobicContact CE1-CD1 4.23Å; F16-I59 HydrophobicContact CE1-CG1 4.33Å; F16-I59 HydrophobicContact CE1-CG2 4.07Å
17	V	49	Very low	50.2	Low	44 Å²	44	73.1 Å²	73.1	27%	0.267	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	113.1	170.6	-171	0	0	0	0	107.9	L24 Y57 R58	V17-L24 HydrophobicContact CG2-CD1 3.53Å; V17-Y57 PolarHBondContact O-N 2.9Å; V17-R58 HydrophobicContact CB-CB 4Å; V17-R58 HydrophobicContact CG2-CB 4.11Å; V17-R58 PolarHBondContact N-O 3.14Å
18	F	49.2	Very low	50.5	Low	49 Å²	49	73.2 Å²	73.2	22%	0.215	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	143.8	172.2	-59.4	-97.1	0	0	0	108.3	F16 A25 S54 I56	F16-F18 HydrophobicContact CB-CD2 4.4Å; F16-F18 HydrophobicContact CB-CE2 3.67Å; F16-F18 HydrophobicContact CB-CZ 4.09Å; F18-A25 HydrophobicContact CD2-CB 4.35Å; F18-A25 HydrophobicContact CE2-CB 3.7Å; F18-S54 WeakPolarHBondContact CD1-O 3.25Å; F18-I56 HydrophobicContact CD1-CD1 3.84Å; F18-I56 HydrophobicContact CD1-CG1 3.32Å; F18-I56 HydrophobicContact CE1-CD1 3.32Å; F18-I56 HydrophobicContact CE1-CG1 3.37Å; F18-I56 HydrophobicContact CE2-CD1 4.3Å; F18-I56 HydrophobicContact CG-CG1 3.99Å; F18-I56 HydrophobicContact CZ-CD1 3.58Å; F18-I56 HydrophobicContact CZ-CG1 4.04Å
19	L	45.1	Very low	50.9	Low	99 Å²	99	67 Å²	67	52%	0.518	35%	0.353	S	S	.	.	S	Bend	trans	-89	-22.2	172.4	-76.2	-165.1	0	0	0	114.2	T21 K55 Y57	L19-T21 PolarHBondContact O-N 2.77Å; L19-K55 PolarHBondContact N-O 3.33Å; L19-Y57 HydrophobicContact CB-CD2 3.32Å; L19-Y57 HydrophobicContact CB-CE2 3.3Å; L19-Y57 HydrophobicContact CB-CG 4.06Å; L19-Y57 HydrophobicContact CD1-CD1 3.11Å; L19-Y57 HydrophobicContact CD1-CD2 3.22Å; L19-Y57 HydrophobicContact CD1-CE1 3.21Å; L19-Y57 HydrophobicContact CD1-CE2 3.33Å; L19-Y57 HydrophobicContact CD1-CG 3.07Å; L19-Y57 HydrophobicContact CD2-CD2 4.33Å; L19-Y57 HydrophobicContact CD2-CG 4.25Å; L19-Y57 HydrophobicContact CG-CD1 3.83Å; L19-Y57 HydrophobicContact CG-CD2 2.98Å; L19-Y57 HydrophobicContact CG-CE1 4.16Å; L19-Y57 HydrophobicContact CG-CE2 3.41Å; L19-Y57 VanDerWaalsContact CG-CE2 3.41Å; L19-Y57 HydrophobicContact CG-CG 3.18Å
20	D	48.9	Very low	51.1	Low	114 Å²	114	67.8 Å²	67.8	61%	0.61	35%	0.348	S	S	*	.	S	Bend	trans	-74.9	-18.4	-177.5	-130.2	27.3	0	0	0	112.3	K55	D20-K55 HydrophobicContact CB-CB 4.48Å; D20-K55 HydrophobicContact CB-CD 3.85Å; D20-K55 IonicContact OD1-NZ 3.91Å; D20-K55 PolarHBondContact OD1-NZ 3.04Å; D20-K55 VanDerWaalsContact OD2-CD 3.25Å; D20-K55 WeakPolarHBondContact OD2-CD 3.37Å; D20-K55 WeakPolarHBondContact OD2-CE 3.08Å; D20-K55 IonicContact OD2-NZ 2.82Å; D20-K55 PolarHBondContact OD2-NZ 3.18Å
21	T	45.3	Very low	51.2	Low	69 Å²	69	65.4 Å²	65.4	42%	0.423	33%	0.334	S	S	.	.	S	Bend	trans	-129.4	136.3	172.3	56.6	0	0	0	0	105.6	L19 S23	L19-T21 PolarHBondContact O-N 2.77Å; T21-S23 WeakPolarHBondContact CB-OG 3.15Å; T21-S23 PolarHBondContact O-N 3.36Å; T21-S23 WeakPolarHBondContact OG1-CB 2.74Å
22	R	49.6	Very low	50.9	Low	264 Å²	264	73.2 Å²	73.2	100%	0.996	36%	0.36	S	S	*	.	S	Bend	trans	-66.7	28.3	167.8	-66.1	-178.3	177.2	177.3	-0.6	111.7
23	S	45.8	Very low	50.6	Low	68 Å²	68	79.5 Å²	79.5	48%	0.476	40%	0.398	S	S	.	.			trans	-97.5	116.7	-175.6	-54.9	0	0	0	0	108.8	T21	T21-S23 WeakPolarHBondContact CB-OG 3.15Å; T21-S23 PolarHBondContact O-N 3.36Å; T21-S23 WeakPolarHBondContact OG1-CB 2.74Å
24	L	52.9	Low	50.3	Low	109 Å²	109	81 Å²	81	57%	0.571	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	120	162.6	179.8	75.1	0	0	0	107.2	C15 V17	C15-L24 HydrophobicContact CB-CD1 4.34Å; V17-L24 HydrophobicContact CG2-CD1 3.53Å
25	A	52.6	Low	49.7	Very low	41 Å²	41	86 Å²	86	34%	0.339	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	113.1	166.9	0	0	0	0	0	108.4	F16 F18	F16-A25 WeakPolarHBondContact CA-O 3.19Å; F16-A25 WeakPolarHBondContact CB-O 3.32Å; F16-A25 PolarHBondContact N-O 3.48Å; F16-A25 PolarHBondContact O-N 3.28Å; F18-A25 HydrophobicContact CD2-CB 4.35Å; F18-A25 HydrophobicContact CE2-CB 3.7Å
26	C	53.3	Low	49.6	Very low	65 Å²	65	88.8 Å²	88.8	44%	0.439	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.8	171.5	-67.9	0	0	0	0	109.4	L14 C15	L14-C26 CarbonylContact O-C 3.56Å; L14-C26 WeakPolarHBondContact O-CA 3.26Å; C15-C26 HydrophobicContact CB-CB 4.13Å; C15-C26 WeakPolarHBondContact CB-SG 3.39Å; C15-C26 WeakPolarHBondContact SG-CB 3.07Å; C15-C26 CovalentContact SG-SG 2.05Å; C15-C26 PolarHBondContact SG-SG 3.46Å
27	E	51.5	Low	49.4	Very low	74 Å²	74	93.7 Å²	93.7	35%	0.346	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	119.4	169.4	-69.6	-162.4	161.4	0	0	109.5	L14 K29 Y47	L14-E27 PolarHBondContact N-O 2.9Å; L14-E27 CarbonylContact O-C 3.49Å; L14-E27 PolarHBondContact O-N 2.98Å; E27-K29 PolarHBondContact O-N 2.9Å; E27-K29 WeakPolarHBondContact OE2-CE 3.48Å; E27-K29 IonicContact OE2-NZ 2.79Å; E27-K29 PolarHBondContact OE2-NZ 2.77Å; E27-Y47 PolarHBondContact OE1-OH 2.72Å; E27-Y47 PolarHBondContact OE2-OH 3.44Å
28	Y	51.9	Low	49.1	Very low	128 Å²	128	93.7 Å²	93.7	50%	0.502	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	118.3	167.7	-168.5	-91.3	0	0	0	108.9	S11 T13 D30 Y64	S11-Y28 VanDerWaalsContact CB-OH 3.24Å; S11-Y28 WeakPolarHBondContact CB-OH 3.35Å; T13-Y28 HydrophobicContact CG2-CD2 4.42Å; T13-Y28 WeakPolarHBondContact OG1-CD2 3.38Å; T13-Y28 WeakPolarHBondContact OG1-CE2 3.38Å; Y28-D30 HydrophobicContact CE1-CB 4.09Å; Y28-Y64 HydrophobicContact CE2-CD2 4.43Å; Y28-Y64 HydrophobicContact CE2-CG 4.46Å
29	K	52.5	Low	49	Very low	71 Å²	71	93.5 Å²	93.5	31%	0.309	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	116.3	173.7	-75.7	-175.2	179	155.9	0	109.9	T12 E27 F31	T12-K29 PolarHBondContact N-O 2.98Å; T12-K29 PolarHBondContact O-N 3.27Å; E27-K29 PolarHBondContact O-N 2.9Å; E27-K29 WeakPolarHBondContact OE2-CE 3.48Å; E27-K29 IonicContact OE2-NZ 2.79Å; E27-K29 PolarHBondContact OE2-NZ 2.77Å; K29-F31 HydrophobicContact CB-CD2 4.22Å; K29-F31 HydrophobicContact CB-CE1 4.12Å; K29-F31 HydrophobicContact CB-CE2 3.49Å; K29-F31 VanDerWaalsContact CB-CE2 3.49Å; K29-F31 HydrophobicContact CB-CZ 3.45Å; K29-F31 VanDerWaalsContact CB-CZ 3.45Å; K29-F31 HydrophobicContact CD-CZ 4.02Å; K29-F31 HydrophobicContact CG-CZ 4.32Å; K29-F31 VanDerWaalsContact O-CD2 3.3Å; K29-F31 WeakPolarHBondContact O-CD2 3.1Å; K29-F31 PolarHBondContact O-N 3.15Å
30	D	51.9	Low	49.2	Very low	57 Å²	57	89.8 Å²	89.8	31%	0.305	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	100.8	177.6	-162	-4.2	0	0	0	109.7	S11 Y28 R32	S11-D30 PolarHBondContact OG-OD1 2.79Å; Y28-D30 HydrophobicContact CE1-CB 4.09Å; D30-R32 VanDerWaalsContact C-N 3.29Å; D30-R32 PolarHBondContact O-N 3.45Å; D30-R32 VanDerWaalsContact O-N 3.09Å; D30-R32 WeakPolarHBondContact OD1-CG 3.46Å; D30-R32 IonicContact OD1-NE 3.82Å; D30-R32 IonicContact OD2-CZ 3.15Å; D30-R32 IonicContact OD2-NE 2.67Å; D30-R32 PolarHBondContact OD2-NE 3.36Å; D30-R32 IonicContact OD2-NH2 2.77Å; D30-R32 PolarHBondContact OD2-NH2 3.4Å
31	F	52.6	Low	49.2	Very low	40 Å²	40	90.6 Å²	90.6	18%	0.175	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	67.9	-178	-62.2	-73.2	0	0	0	110.3	L14 K29 T33 V34 L40 F44	L14-F31 HydrophobicContact CD1-CE2 4.19Å; L14-F31 HydrophobicContact CD1-CZ 4.44Å; K29-F31 HydrophobicContact CB-CD2 4.22Å; K29-F31 HydrophobicContact CB-CE1 4.12Å; K29-F31 HydrophobicContact CB-CE2 3.49Å; K29-F31 VanDerWaalsContact CB-CE2 3.49Å; K29-F31 HydrophobicContact CB-CZ 3.45Å; K29-F31 VanDerWaalsContact CB-CZ 3.45Å; K29-F31 HydrophobicContact CD-CZ 4.02Å; K29-F31 HydrophobicContact CG-CZ 4.32Å; K29-F31 VanDerWaalsContact O-CD2 3.3Å; K29-F31 WeakPolarHBondContact O-CD2 3.1Å; K29-F31 PolarHBondContact O-N 3.15Å; F31-T33 PolarHBondContact O-N 3.06Å; F31-V34 HydrophobicContact CB-CB 3.98Å; F31-V34 HydrophobicContact CB-CG2 3.72Å; F31-V34 HydrophobicContact CD1-CB 4.35Å; F31-V34 HydrophobicContact CD1-CG2 3.4Å; F31-V34 HydrophobicContact CE1-CG2 4.36Å; F31-V34 HydrophobicContact CG-CB 4.49Å; F31-V34 HydrophobicContact CG-CG2 3.94Å; F31-L40 HydrophobicContact CD1-CD1 4.03Å; F31-L40 HydrophobicContact CD2-CD1 3.36Å; F31-L40 HydrophobicContact CE1-CD1 3.94Å; F31-L40 HydrophobicContact CE2-CD1 3.3Å; F31-L40 HydrophobicContact CG-CD1 3.73Å; F31-L40 HydrophobicContact CZ-CD1 3.58Å; F31-F44 HydrophobicContact CE2-CE2 4.09Å; F31-F44 HydrophobicContact CE2-CZ 4.36Å; F31-F44 AromaticContact CZ-CE2 3.68Å; F31-F44 HydrophobicContact CZ-CE2 3.68Å; F31-F44 HydrophobicContact CZ-CZ 4.35Å
32	R	45.5	Very low	49.3	Very low	188 Å²	188	94.4 Å²	94.4	71%	0.709	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-9.9	179.6	-59.8	-171.3	-160.7	162	14.3	114.2	D30	D30-R32 VanDerWaalsContact C-N 3.29Å; D30-R32 PolarHBondContact O-N 3.45Å; D30-R32 VanDerWaalsContact O-N 3.09Å; D30-R32 WeakPolarHBondContact OD1-CG 3.46Å; D30-R32 IonicContact OD1-NE 3.82Å; D30-R32 IonicContact OD2-CZ 3.15Å; D30-R32 IonicContact OD2-NE 2.67Å; D30-R32 PolarHBondContact OD2-NE 3.36Å; D30-R32 IonicContact OD2-NH2 2.77Å; D30-R32 PolarHBondContact OD2-NH2 3.4Å
33	T	46.5	Very low	49.4	Very low	134 Å²	134	83.9 Å²	83.9	82%	0.822	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.2	7.8	-172.4	33.3	0	0	0	0	113.8	F31 P35	F31-T33 PolarHBondContact O-N 3.06Å; T33-P35 VanDerWaalsContact O-CD 3.23Å; T33-P35 WeakPolarHBondContact O-CD 3.04Å
34	V	49.4	Very low	49.9	Very low	49 Å²	49	81.9 Å²	81.9	30%	0.297	45%	0.445	S	S	.	.			trans	-88.1	109.3	179.9	-175	0	0	0	0	108.9	F31 T36 S39 L40	F31-V34 HydrophobicContact CB-CB 3.98Å; F31-V34 HydrophobicContact CB-CG2 3.72Å; F31-V34 HydrophobicContact CD1-CB 4.35Å; F31-V34 HydrophobicContact CD1-CG2 3.4Å; F31-V34 HydrophobicContact CE1-CG2 4.36Å; F31-V34 HydrophobicContact CG-CB 4.49Å; F31-V34 HydrophobicContact CG-CG2 3.94Å; V34-T36 PolarHBondContact O-N 3.12Å; V34-S39 VanDerWaalsContact CG1-OG 3.22Å; V34-S39 WeakPolarHBondContact CG1-OG 2.89Å; V34-L40 HydrophobicContact CG1-CB 4.47Å
35	P	44.8	Very low	49.9	Very low	113 Å²	113	83.9 Å²	83.9	73%	0.734	45%	0.449	S	S	*	.			trans	-71.2	-14.3	-166.5	26.5	-33.4	0	0	0	113.8	T33 S39	T33-P35 VanDerWaalsContact O-CD 3.23Å; T33-P35 WeakPolarHBondContact O-CD 3.04Å; P35-S39 WeakPolarHBondContact CD-OG 3.37Å
36	T	51.4	Low	49.9	Very low	86 Å²	86	86.9 Å²	86.9	53%	0.528	46%	0.46	S	S	.	.	S	Bend	trans	-158	152.9	-175	50	0	0	0	0	112.2	V34 G38 S39 L40	V34-T36 PolarHBondContact O-N 3.12Å; T36-G38 PolarHBondContact O-N 3.32Å; T36-S39 PolarHBondContact O-N 3.38Å; T36-S39 PolarHBondContact O-OG 2.88Å; T36-S39 VanDerWaalsContact O-OG 3.14Å; T36-S39 PolarHBondContact OG1-OG 3.23Å; T36-L40 PolarHBondContact O-N 2.83Å
37	I	46.9	Very low	49.9	Very low	106 Å²	106	87.5 Å²	87.5	54%	0.544	45%	0.453	S	S	.	.	H	α-helix	trans	-49.4	-26.3	167.8	-65.7	166.7	0	0	0	111.6	L40 M41	I37-L40 VanDerWaalsContact O-CB 3.26Å; I37-L40 WeakPolarHBondContact O-CB 3.09Å; I37-L40 PolarHBondContact O-N 2.79Å; I37-M41 HydrophobicContact CG2-SD 4.38Å; I37-M41 WeakPolarHBondContact O-CG 3.11Å; I37-M41 PolarHBondContact O-N 2.8Å
38	G	44	Very low	50	Low	43 Å²	43	85.6 Å²	85.6	44%	0.443	45%	0.446	S	S	.	.	H	α-helix	trans	-68.5	-37.7	176.1	0	0	0	0	0	114.7	T36 M41 F42	T36-G38 PolarHBondContact O-N 3.32Å; G38-M41 WeakPolarHBondContact O-CB 3.11Å; G38-M41 PolarHBondContact O-N 3.49Å; G38-F42 PolarHBondContact O-N 3.38Å
39	S	45.8	Very low	50.1	Low	45 Å²	45	86.1 Å²	86.1	32%	0.315	45%	0.449	S	S	.	.	H	α-helix	trans	-79.2	-26.4	176.2	24.9	0	0	0	0	111.8	V34 P35 T36 F42 G43	V34-S39 VanDerWaalsContact CG1-OG 3.22Å; V34-S39 WeakPolarHBondContact CG1-OG 2.89Å; P35-S39 WeakPolarHBondContact CD-OG 3.37Å; T36-S39 PolarHBondContact O-N 3.38Å; T36-S39 PolarHBondContact O-OG 2.88Å; T36-S39 VanDerWaalsContact O-OG 3.14Å; T36-S39 PolarHBondContact OG1-OG 3.23Å; S39-F42 PolarHBondContact O-N 2.81Å; S39-G43 PolarHBondContact O-N 3.25Å
40	L	50.9	Low	50.2	Low	21 Å²	21	87.6 Å²	87.6	11%	0.11	46%	0.457	C	S	.	.	H	α-helix	trans	-57.1	-55.6	160.7	-160.7	78.5	0	0	0	108.7	F31 V34 T36 I37 F42 G43 F44	F31-L40 HydrophobicContact CD1-CD1 4.03Å; F31-L40 HydrophobicContact CD2-CD1 3.36Å; F31-L40 HydrophobicContact CE1-CD1 3.94Å; F31-L40 HydrophobicContact CE2-CD1 3.3Å; F31-L40 HydrophobicContact CG-CD1 3.73Å; F31-L40 HydrophobicContact CZ-CD1 3.58Å; V34-L40 HydrophobicContact CG1-CB 4.47Å; T36-L40 PolarHBondContact O-N 2.83Å; I37-L40 VanDerWaalsContact O-CB 3.26Å; I37-L40 WeakPolarHBondContact O-CB 3.09Å; I37-L40 PolarHBondContact O-N 2.79Å; L40-F42 VanDerWaalsContact C-N 3.32Å; L40-F42 PolarHBondContact O-N 3Å; L40-G43 PolarHBondContact O-N 2.83Å; L40-F44 HydrophobicContact CB-CE2 4.3Å; L40-F44 HydrophobicContact CD1-CD2 4.32Å; L40-F44 HydrophobicContact CD1-CE2 3.32Å; L40-F44 HydrophobicContact CD1-CZ 3.61Å; L40-F44 HydrophobicContact CD2-CE1 4.44Å; L40-F44 HydrophobicContact CD2-CE2 4.21Å; L40-F44 HydrophobicContact CD2-CZ 3.82Å; L40-F44 HydrophobicContact CG-CD2 3.98Å; L40-F44 HydrophobicContact CG-CE1 4.25Å; L40-F44 HydrophobicContact CG-CE2 3.27Å; L40-F44 HydrophobicContact CG-CZ 3.4Å; L40-F44 WeakPolarHBondContact O-CB 3.36Å; L40-F44 WeakPolarHBondContact O-CD2 3.12Å; L40-F44 WeakPolarHBondContact O-CG 3.47Å; L40-F44 PolarHBondContact O-N 3.45Å
41	M	48.8	Very low	50.2	Low	131 Å²	131	85.3 Å²	85.3	65%	0.645	45%	0.445	S	S	*	.	H	α-helix	trans	-58.4	-34.2	177.5	-76.6	175.2	70.3	0	0	114.6	I37 G38 F44 K45	I37-M41 HydrophobicContact CG2-SD 4.38Å; I37-M41 WeakPolarHBondContact O-CG 3.11Å; I37-M41 PolarHBondContact O-N 2.8Å; G38-M41 WeakPolarHBondContact O-CB 3.11Å; G38-M41 PolarHBondContact O-N 3.49Å; M41-F44 CarbonylContact O-C 3.57Å; M41-K45 PolarHBondContact O-N 3.4Å
42	F	45.8	Very low	50.2	Low	149 Å²	149	87.4 Å²	87.4	65%	0.654	46%	0.458	S	S	*	.	H	α-helix	trans	-74.2	-47.6	179.2	-169.8	-93.7	0	0	0	112.8	G38 S39 L40 F44 K45 N46	G38-F42 PolarHBondContact O-N 3.38Å; S39-F42 PolarHBondContact O-N 2.81Å; L40-F42 VanDerWaalsContact C-N 3.32Å; L40-F42 PolarHBondContact O-N 3Å; F42-F44 PolarHBondContact O-N 2.77Å; F42-K45 PolarHBondContact O-N 3.19Å; F42-K45 VanDerWaalsContact O-N 3.12Å; F42-N46 PolarHBondContact O-N 2.88Å
43	G	52.1	Low	50.9	Low	44 Å²	44	84.9 Å²	84.9	45%	0.454	45%	0.452	S	S	.	.	H	α-helix	trans	-60.8	-33.4	171.7	0	0	0	0	0	111.4	S39 L40 Y47	S39-G43 PolarHBondContact O-N 3.25Å; L40-G43 PolarHBondContact O-N 2.83Å; G43-Y47 PolarHBondContact O-N 3.34Å; G43-Y47 VanDerWaalsContact O-N 3.15Å
44	F	56.4	Low	51	Low	25 Å²	25	81.5 Å²	81.5	11%	0.11	43%	0.434	C	S	.	.	H	α-helix	trans	-71.9	-35.2	175.1	-77.6	-139	0	0	0	111.8	L14 F31 L40 M41 F42 N46 Y47 V48 I61	L14-F44 HydrophobicContact CD1-CE1 3.68Å; L14-F44 HydrophobicContact CD1-CE2 3.82Å; L14-F44 HydrophobicContact CD1-CZ 3.15Å; L14-F44 HydrophobicContact CD2-CD1 3.87Å; L14-F44 HydrophobicContact CD2-CE1 3.42Å; L14-F44 VanDerWaalsContact CD2-CE1 3.42Å; L14-F44 HydrophobicContact CD2-CE2 4.42Å; L14-F44 HydrophobicContact CD2-CZ 3.78Å; L14-F44 HydrophobicContact CG-CE1 3.8Å; L14-F44 HydrophobicContact CG-CZ 3.83Å; F31-F44 HydrophobicContact CE2-CE2 4.09Å; F31-F44 HydrophobicContact CE2-CZ 4.36Å; F31-F44 AromaticContact CZ-CE2 3.68Å; F31-F44 HydrophobicContact CZ-CE2 3.68Å; F31-F44 HydrophobicContact CZ-CZ 4.35Å; L40-F44 HydrophobicContact CB-CE2 4.3Å; L40-F44 HydrophobicContact CD1-CD2 4.32Å; L40-F44 HydrophobicContact CD1-CE2 3.32Å; L40-F44 HydrophobicContact CD1-CZ 3.61Å; L40-F44 HydrophobicContact CD2-CE1 4.44Å; L40-F44 HydrophobicContact CD2-CE2 4.21Å; L40-F44 HydrophobicContact CD2-CZ 3.82Å; L40-F44 HydrophobicContact CG-CD2 3.98Å; L40-F44 HydrophobicContact CG-CE1 4.25Å; L40-F44 HydrophobicContact CG-CE2 3.27Å; L40-F44 HydrophobicContact CG-CZ 3.4Å; L40-F44 WeakPolarHBondContact O-CB 3.36Å; L40-F44 WeakPolarHBondContact O-CD2 3.12Å; L40-F44 WeakPolarHBondContact O-CG 3.47Å; L40-F44 PolarHBondContact O-N 3.45Å; M41-F44 CarbonylContact O-C 3.57Å; F42-F44 PolarHBondContact O-N 2.77Å; F44-N46 VanDerWaalsContact C-N 3.3Å; F44-N46 PolarHBondContact O-N 2.71Å; F44-Y47 PolarHBondContact O-N 3.06Å; F44-V48 HydrophobicContact CB-CG2 4.44Å; F44-V48 WeakPolarHBondContact O-CA 3.07Å; F44-V48 WeakPolarHBondContact O-CB 3.5Å; F44-V48 WeakPolarHBondContact O-CG2 3.49Å; F44-V48 PolarHBondContact O-N 3.26Å; F44-I61 HydrophobicContact CD1-CD1 4.14Å; F44-I61 HydrophobicContact CE1-CD1 3.73Å; F44-I61 HydrophobicContact CE1-CG1 4.1Å; F44-I61 HydrophobicContact CE1-CG2 4.47Å
45	K	52.7	Low	51.2	Low	152 Å²	152	84.2 Å²	84.2	66%	0.661	44%	0.442	S	S	*	.	H	α-helix	trans	-59.4	-43.7	178.2	-170.8	179.6	178.5	-176.7	0	111	M41 F42 Y49	M41-K45 PolarHBondContact O-N 3.4Å; F42-K45 PolarHBondContact O-N 3.19Å; F42-K45 VanDerWaalsContact O-N 3.12Å; K45-Y49 WeakPolarHBondContact O-CB 3.18Å; K45-Y49 PolarHBondContact O-N 3.41Å
46	N	52.5	Low	51.4	Low	103 Å²	103	79.4 Å²	79.4	55%	0.551	41%	0.41	S	S	*	.	H	α-helix	trans	-68.4	-44.1	175.7	-83.2	-25.8	0	0	0	112.4	F42 F44 Y49 E50	F42-N46 PolarHBondContact O-N 2.88Å; F44-N46 VanDerWaalsContact C-N 3.3Å; F44-N46 PolarHBondContact O-N 2.71Å; N46-Y49 PolarHBondContact O-N 3.23Å; N46-E50 PolarHBondContact O-N 3.25Å
47	Y	53.2	Low	51.1	Low	79 Å²	79	82.3 Å²	82.3	31%	0.31	41%	0.412	S	S	.	.	H	α-helix	trans	-65.4	-48.5	179.4	-164.3	-84	0	0	0	111.4	F16 E27 G43 F44 Y49 E50 A51	F16-Y47 HydrophobicContact CD1-CE1 4.33Å; F16-Y47 HydrophobicContact CD2-CE1 4.02Å; F16-Y47 AromaticContact CE1-CD1 3.76Å; F16-Y47 HydrophobicContact CE1-CD1 3.76Å; F16-Y47 AromaticContact CE1-CE1 3.65Å; F16-Y47 HydrophobicContact CE1-CE1 3.65Å; F16-Y47 AromaticContact CE2-CD1 3.97Å; F16-Y47 HydrophobicContact CE2-CD1 3.97Å; F16-Y47 AromaticContact CE2-CE1 3.27Å; F16-Y47 HydrophobicContact CE2-CE1 3.27Å; F16-Y47 AromaticContact CE2-CZ 3.98Å; F16-Y47 HydrophobicContact CG-CE1 4.49Å; F16-Y47 AromaticContact CZ-CD1 3.26Å; F16-Y47 HydrophobicContact CZ-CD1 3.26Å; F16-Y47 AromaticContact CZ-CE1 3.04Å; F16-Y47 HydrophobicContact CZ-CE1 3.04Å; F16-Y47 HydrophobicContact CZ-CG 4.48Å; E27-Y47 PolarHBondContact OE1-OH 2.72Å; E27-Y47 PolarHBondContact OE2-OH 3.44Å; G43-Y47 PolarHBondContact O-N 3.34Å; G43-Y47 VanDerWaalsContact O-N 3.15Å; F44-Y47 PolarHBondContact O-N 3.06Å; Y47-Y49 VanDerWaalsContact C-N 3.33Å; Y47-Y49 PolarHBondContact O-N 3Å; Y47-E50 PolarHBondContact O-N 2.79Å; Y47-A51 HydrophobicContact CD1-CB 4.42Å; Y47-A51 HydrophobicContact CE1-CB 4.45Å; Y47-A51 WeakPolarHBondContact O-CB 3.49Å; Y47-A51 PolarHBondContact O-N 2.93Å
48	V	55	Low	51.1	Low	33 Å²	33	82.8 Å²	82.8	20%	0.2	41%	0.407	C	S	.	.	H	α-helix	trans	-63	-36.4	175.8	175.8	0	0	0	0	111.3	F44 A51 L52 I59	F44-V48 HydrophobicContact CB-CG2 4.44Å; F44-V48 WeakPolarHBondContact O-CA 3.07Å; F44-V48 WeakPolarHBondContact O-CB 3.5Å; F44-V48 WeakPolarHBondContact O-CG2 3.49Å; F44-V48 PolarHBondContact O-N 3.26Å; V48-A51 CarbonylContact O-C 3.53Å; V48-A51 PolarHBondContact O-N 2.05Å; V48-L52 HydrophobicContact CG1-CD1 3.75Å; V48-L52 HydrophobicContact CG1-CG 3.97Å; V48-L52 WeakPolarHBondContact O-CA 3.05Å; V48-L52 WeakPolarHBondContact O-CB 3.46Å; V48-L52 WeakPolarHBondContact O-CG 3.49Å; V48-L52 PolarHBondContact O-N 2.89Å; V48-I59 HydrophobicContact CB-CD1 4.36Å; V48-I59 HydrophobicContact CG1-CD1 3.84Å; V48-I59 HydrophobicContact CG2-CD1 3.7Å
49	Y	54.4	Low	51.5	Low	139 Å²	139	82.9 Å²	82.9	55%	0.545	40%	0.397	S	S	.	.	H	α-helix	trans	-64.5	-45.2	175.8	-176.4	-98.7	0	0	0	112.1	K45 N46 Y47 A51 L52 K53	K45-Y49 WeakPolarHBondContact O-CB 3.18Å; K45-Y49 PolarHBondContact O-N 3.41Å; N46-Y49 PolarHBondContact O-N 3.23Å; Y47-Y49 VanDerWaalsContact C-N 3.33Å; Y47-Y49 PolarHBondContact O-N 3Å; Y49-A51 VanDerWaalsContact C-N 3.32Å; Y49-L52 PolarHBondContact O-N 2.88Å; Y49-K53 PolarHBondContact O-N 3.18Å
50	E	53.4	Low	51.7	Low	103 Å²	103	81.9 Å²	81.9	48%	0.481	39%	0.39	S	S	.	.	H	α-helix	trans	-65.8	-38.2	173.3	-73	-62.9	120	0	0	111.4	N46 Y47 K53 S54	N46-E50 PolarHBondContact O-N 3.25Å; Y47-E50 PolarHBondContact O-N 2.79Å; E50-K53 WeakPolarHBondContact O-CB 3.26Å; E50-K53 PolarHBondContact O-N 3.42Å; E50-K53 IonicContact OE1-NZ 2.68Å; E50-K53 PolarHBondContact OE1-NZ 2.78Å; E50-K53 IonicContact OE2-NZ 2.77Å; E50-S54 PolarHBondContact O-N 2.69Å; E50-S54 PolarHBondContact O-OG 3.33Å
51	A	52.6	Low	51.9	Low	8 Å²	8	85.1 Å²	85.1	7%	0.066	41%	0.407	C	S	.	.	H	α-helix	trans	-74.5	-26.2	179.8	0	0	0	0	0	112.6	Y47 V48 Y49 S54 I56	Y47-A51 HydrophobicContact CD1-CB 4.42Å; Y47-A51 HydrophobicContact CE1-CB 4.45Å; Y47-A51 WeakPolarHBondContact O-CB 3.49Å; Y47-A51 PolarHBondContact O-N 2.93Å; V48-A51 CarbonylContact O-C 3.53Å; V48-A51 PolarHBondContact O-N 2.05Å; Y49-A51 VanDerWaalsContact C-N 3.32Å; A51-S54 CarbonylContact O-C 3.27Å; A51-S54 VanDerWaalsContact O-C 3.27Å; A51-S54 WeakPolarHBondContact O-CA 3.45Å; A51-S54 WeakPolarHBondContact O-CB 3.37Å; A51-S54 PolarHBondContact O-N 3.32Å; A51-I56 HydrophobicContact CB-CD1 3.22Å; A51-I56 HydrophobicContact CB-CG1 4.34Å; A51-I56 WeakPolarHBondContact O-CD1 3.11Å; A51-I56 VanDerWaalsContact O-CG1 3.26Å; A51-I56 WeakPolarHBondContact O-CG1 3.34Å
52	L	52.9	Low	52	Low	85 Å²	85	80.5 Å²	80.5	45%	0.445	39%	0.392	S	S	.	.	H	α-helix	trans	-71.3	-30.3	170.5	-80.4	168.4	0	0	0	111.8	V48 Y49 S54 P81	V48-L52 HydrophobicContact CG1-CD1 3.75Å; V48-L52 HydrophobicContact CG1-CG 3.97Å; V48-L52 WeakPolarHBondContact O-CA 3.05Å; V48-L52 WeakPolarHBondContact O-CB 3.46Å; V48-L52 WeakPolarHBondContact O-CG 3.49Å; V48-L52 PolarHBondContact O-N 2.89Å; Y49-L52 PolarHBondContact O-N 2.88Å; L52-S54 PolarHBondContact O-N 3.37Å; L52-P81 HydrophobicContact CD2-CB 4.12Å; L52-P81 HydrophobicContact CD2-CG 4.28Å
53	K	58.7	Low	52.2	Low	135 Å²	135	78.8 Å²	78.8	59%	0.587	39%	0.386	S	S	*	.	H	α-helix	trans	-62.4	-26.9	165.5	-68.2	176.1	179.8	163.6	0	111.3	Y49 E50	Y49-K53 PolarHBondContact O-N 3.18Å; E50-K53 WeakPolarHBondContact O-CB 3.26Å; E50-K53 PolarHBondContact O-N 3.42Å; E50-K53 IonicContact OE1-NZ 2.68Å; E50-K53 PolarHBondContact OE1-NZ 2.78Å; E50-K53 IonicContact OE2-NZ 2.77Å
54	S	49.7	Very low	52.1	Low	63 Å²	63	82.3 Å²	82.3	44%	0.441	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	49.3	-177.8	-53.4	0	0	0	0	113.6	F18 E50 A51 L52 I56	F18-S54 WeakPolarHBondContact CD1-O 3.25Å; E50-S54 PolarHBondContact O-N 2.69Å; E50-S54 PolarHBondContact O-OG 3.33Å; A51-S54 CarbonylContact O-C 3.27Å; A51-S54 VanDerWaalsContact O-C 3.27Å; A51-S54 WeakPolarHBondContact O-CA 3.45Å; A51-S54 WeakPolarHBondContact O-CB 3.37Å; A51-S54 PolarHBondContact O-N 3.32Å; L52-S54 PolarHBondContact O-N 3.37Å; S54-I56 WeakPolarHBondContact O-CG1 3.28Å; S54-I56 PolarHBondContact O-N 3.36Å
55	K	52.6	Low	51.5	Low	105 Å²	105	84.7 Å²	84.7	46%	0.457	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.3	44.6	166	-67.2	177.6	177.1	177.8	0	114.5	L19 D20 Y57	L19-K55 PolarHBondContact N-O 3.33Å; D20-K55 HydrophobicContact CB-CB 4.48Å; D20-K55 HydrophobicContact CB-CD 3.85Å; D20-K55 IonicContact OD1-NZ 3.91Å; D20-K55 PolarHBondContact OD1-NZ 3.04Å; D20-K55 VanDerWaalsContact OD2-CD 3.25Å; D20-K55 WeakPolarHBondContact OD2-CD 3.37Å; D20-K55 WeakPolarHBondContact OD2-CE 3.08Å; D20-K55 IonicContact OD2-NZ 2.82Å; D20-K55 PolarHBondContact OD2-NZ 3.18Å; K55-Y57 HydrophobicContact CB-CE2 4.07Å; K55-Y57 WeakPolarHBondContact O-CD2 3.47Å; K55-Y57 VanDerWaalsContact O-CE2 3.28Å; K55-Y57 WeakPolarHBondContact O-CE2 3.42Å
56	I	49.8	Very low	51.1	Low	12 Å²	12	81.6 Å²	81.6	6%	0.062	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	131.2	174.8	-69.8	-176	0	0	0	109.4	F16 F18 A51 S54 I59	F16-I56 HydrophobicContact CB-CD1 4.18Å; F16-I56 HydrophobicContact CD1-CD1 3.9Å; F16-I56 HydrophobicContact CG-CD1 4.36Å; F18-I56 HydrophobicContact CD1-CD1 3.84Å; F18-I56 HydrophobicContact CD1-CG1 3.32Å; F18-I56 HydrophobicContact CE1-CD1 3.32Å; F18-I56 HydrophobicContact CE1-CG1 3.37Å; F18-I56 HydrophobicContact CE2-CD1 4.3Å; F18-I56 HydrophobicContact CG-CG1 3.99Å; F18-I56 HydrophobicContact CZ-CD1 3.58Å; F18-I56 HydrophobicContact CZ-CG1 4.04Å; A51-I56 HydrophobicContact CB-CD1 3.22Å; A51-I56 HydrophobicContact CB-CG1 4.34Å; A51-I56 WeakPolarHBondContact O-CD1 3.11Å; A51-I56 VanDerWaalsContact O-CG1 3.26Å; A51-I56 WeakPolarHBondContact O-CG1 3.34Å; S54-I56 WeakPolarHBondContact O-CG1 3.28Å; S54-I56 PolarHBondContact O-N 3.36Å; I56-I59 HydrophobicContact CG2-CG1 3.91Å
57	Y	45.5	Very low	50.8	Low	148 Å²	148	83.5 Å²	83.5	58%	0.58	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	-8.6	-177.8	-66	-116.9	0	0	0	112.6	V17 L19 K55	V17-Y57 PolarHBondContact O-N 2.9Å; L19-Y57 HydrophobicContact CB-CD2 3.32Å; L19-Y57 HydrophobicContact CB-CE2 3.3Å; L19-Y57 HydrophobicContact CB-CG 4.06Å; L19-Y57 HydrophobicContact CD1-CD1 3.11Å; L19-Y57 HydrophobicContact CD1-CD2 3.22Å; L19-Y57 HydrophobicContact CD1-CE1 3.21Å; L19-Y57 HydrophobicContact CD1-CE2 3.33Å; L19-Y57 HydrophobicContact CD1-CG 3.07Å; L19-Y57 HydrophobicContact CD2-CD2 4.33Å; L19-Y57 HydrophobicContact CD2-CG 4.25Å; L19-Y57 HydrophobicContact CG-CD1 3.83Å; L19-Y57 HydrophobicContact CG-CD2 2.98Å; L19-Y57 HydrophobicContact CG-CE1 4.16Å; L19-Y57 HydrophobicContact CG-CE2 3.41Å; L19-Y57 VanDerWaalsContact CG-CE2 3.41Å; L19-Y57 HydrophobicContact CG-CG 3.18Å; K55-Y57 HydrophobicContact CB-CE2 4.07Å; K55-Y57 WeakPolarHBondContact O-CD2 3.47Å; K55-Y57 VanDerWaalsContact O-CE2 3.28Å; K55-Y57 WeakPolarHBondContact O-CE2 3.42Å
58	R	46.2	Very low	50.2	Low	115 Å²	115	85.4 Å²	85.4	43%	0.434	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	132.8	173.6	-163	177.3	179.1	179.9	0.6	112	V17	V17-R58 HydrophobicContact CB-CB 4Å; V17-R58 HydrophobicContact CG2-CB 4.11Å; V17-R58 PolarHBondContact N-O 3.14Å
59	I	52.6	Low	49.5	Very low	45 Å²	45	94.6 Å²	94.6	23%	0.231	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126	171.1	-54	-177.6	0	0	0	106.4	F16 V48 I56 I61	F16-I59 HydrophobicContact CD1-CD1 4.42Å; F16-I59 HydrophobicContact CD1-CG1 4.11Å; F16-I59 HydrophobicContact CD1-CG2 4.3Å; F16-I59 HydrophobicContact CE1-CD1 4.23Å; F16-I59 HydrophobicContact CE1-CG1 4.33Å; F16-I59 HydrophobicContact CE1-CG2 4.07Å; V48-I59 HydrophobicContact CB-CD1 4.36Å; V48-I59 HydrophobicContact CG1-CD1 3.84Å; V48-I59 HydrophobicContact CG2-CD1 3.7Å; I56-I59 HydrophobicContact CG2-CG1 3.91Å; I59-I61 HydrophobicContact CG2-CG1 4.15Å
60	S	50.8	Low	48.6	Very low	25 Å²	25	92.3 Å²	92.3	18%	0.175	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.3	173.6	-60.8	0	0	0	0	108.5	C15	C15-S60 PolarHBondContact N-O 2.91Å; C15-S60 PolarHBondContact O-N 3.2Å
61	I	54.2	Low	48	Very low	89 Å²	89	91.4 Å²	91.4	46%	0.456	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	118.4	-179.7	-56.9	167.4	0	0	0	106.6	T12 F44 I59	T12-I61 HydrophobicContact CG2-CG2 3.58Å; F44-I61 HydrophobicContact CD1-CD1 4.14Å; F44-I61 HydrophobicContact CE1-CD1 3.73Å; F44-I61 HydrophobicContact CE1-CG1 4.1Å; F44-I61 HydrophobicContact CE1-CG2 4.47Å; I59-I61 HydrophobicContact CG2-CG1 4.15Å
62	G	51.2	Low	47.4	Very low	33 Å²	33	95.4 Å²	95.4	34%	0.34	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.8	174.6	0	0	0	0	0	110.3	T12 T13	T12-G62 CarbonylContact C-O 3.53Å; T12-G62 WeakPolarHBondContact CA-O 3.22Å; T12-G62 WeakPolarHBondContact CG2-O 3.3Å; T13-G62 PolarHBondContact N-O 3.24Å; T13-G62 PolarHBondContact O-N 3.09Å
63	Q	50.4	Low	46.7	Very low	113 Å²	113	97.4 Å²	97.4	53%	0.528	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	124.6	172.6	-69	179.1	-16.4	0	0	109.5	T12	T12-Q63 HydrophobicContact CG2-CG 4.41Å
64	Y	49	Very low	45.7	Very low	119 Å²	119	97.5 Å²	97.5	47%	0.467	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	110.1	173.5	-86	-104.9	0	0	0	109	S11 T13 Y28	S11-Y64 CarbonylContact O-C 3.59Å; S11-Y64 WeakPolarHBondContact O-CA 3.23Å; S11-Y64 WeakPolarHBondContact O-CB 3.5Å; S11-Y64 PolarHBondContact O-N 2.67Å; T13-Y64 HydrophobicContact CG2-CE2 4.37Å; T13-Y64 WeakPolarHBondContact OG1-CD2 3.47Å; T13-Y64 WeakPolarHBondContact OG1-CE2 3.24Å; Y28-Y64 HydrophobicContact CE2-CD2 4.43Å; Y28-Y64 HydrophobicContact CE2-CG 4.46Å
65	S	44.2	Very low	45.1	Very low	75 Å²	75	100.3 Å²	100.3	52%	0.524	54%	0.543	S	S	.	.			trans	-82.7	119	160.4	168.2	0	0	0	0	107.9	L67	S65-L67 PolarHBondContact O-N 2.93Å
66	G	43.8	Very low	44.4	Very low	86 Å²	86	97.5 Å²	97.5	89%	0.887	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	22.4	-176	0	0	0	0	0	116.5
67	L	47.6	Very low	43.8	Very low	144 Å²	144	105 Å²	105	75%	0.754	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.3	-7.6	-176	-81.8	156.8	0	0	0	114.4	S65	S65-L67 PolarHBondContact O-N 2.93Å
68	N	40.4	Very low	43.3	Very low	119 Å²	119	103.8 Å²	103.8	64%	0.636	57%	0.566	S	S	*	*			trans	-145.8	119.2	175.7	-102.2	-23.5	0	0	0	111.3	S70	N68-S70 PolarHBondContact O-N 3.29Å
69	K	38.6	Very low	43	Very low	225 Å²	225	108 Å²	108	98%	0.978	58%	0.583	S	S	*	*	S	Bend	trans	-70.5	9.7	-178.8	-75	-176.3	176.3	179.1	0	114.8
70	S	37.3	Very low	42.1	Very low	92 Å²	92	114.6 Å²	114.6	64%	0.643	61%	0.61	S	S	*	*			trans	-150.2	77.9	-173.2	52.8	0	0	0	0	109.4	N68	N68-S70 PolarHBondContact O-N 3.29Å
71	V	39.5	Very low	41.3	Very low	84 Å²	84	116.7 Å²	116.7	51%	0.509	62%	0.623	S	S	.	*			trans	-99.2	111.2	171	-177.5	0	0	0	0	107.6
72	P	40.7	Very low	40.1	Very low	92 Å²	92	118.1 Å²	118.1	60%	0.597	64%	0.636	S	S	*	*			trans	-62.3	141.9	172.4	26.8	-31.5	0	0	0	108.8	N74	P72-N74 PolarHBondContact O-N 3.4Å
73	V	38.9	Very low	39.1	Very low	126 Å²	126	123.9 Å²	123.9	76%	0.764	66%	0.657	S	S	*	*			trans	-64.4	77.9	176	-174.9	0	0	0	0	109	V76	V73-V76 HydrophobicContact CG1-CG2 3.55Å
74	N	36.4	Very low	38.2	Very low	138 Å²	138	130.8 Å²	130.8	74%	0.738	69%	0.686	S	S	*	*			trans	-94	117.1	173.7	-99.8	-13.9	0	0	0	108.4	P72	P72-N74 PolarHBondContact O-N 3.4Å
75	N	36.5	Very low	37.6	Very low	122 Å²	122	131.4 Å²	131.4	65%	0.652	70%	0.697	S	S	*	*			trans	77.9	73.7	178.8	-59.8	-25	0	0	0	117	Y77	N75-Y77 HydrophobicContact CB-CD2 4.45Å; N75-Y77 HydrophobicContact CB-CE2 4.03Å; N75-Y77 PolarHBondContact O-N 2.68Å
76	V	38.6	Very low	37.3	Very low	45 Å²	45	134.3 Å²	134.3	27%	0.273	71%	0.706	S	S	.	*			trans	-75	105.6	156.2	-178.5	0	0	0	0	108.5	V73 I78	V73-V76 HydrophobicContact CG1-CG2 3.55Å; V76-I78 HydrophobicContact CG1-CG1 4.04Å; V76-I78 PolarHBondContact O-N 2.82Å
77	Y	37.5	Very low	36.9	Very low	169 Å²	169	137 Å²	137	66%	0.663	70%	0.696	S	S	*	*			trans	-76.2	111.1	165.1	-73.5	-86.9	0	0	0	109	N75 Y79	N75-Y77 HydrophobicContact CB-CD2 4.45Å; N75-Y77 HydrophobicContact CB-CE2 4.03Å; N75-Y77 PolarHBondContact O-N 2.68Å; Y77-Y79 PolarHBondContact O-N 3.38Å
78	I	35.7	Very low	36.3	Very low	124 Å²	124	136.6 Å²	136.6	64%	0.636	69%	0.692	S	S	*	*			trans	-85.2	101.7	175.4	-59.9	168	0	0	0	107.6	V76	V76-I78 HydrophobicContact CG1-CG1 4.04Å; V76-I78 PolarHBondContact O-N 2.82Å
79	Y	39.1	Very low	36	Very low	204 Å²	204	137.7 Å²	137.7	80%	0.8	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-82.6	116.8	164.2	-75.1	-86.1	0	0	0	108.7	Y77	Y77-Y79 PolarHBondContact O-N 3.38Å
80	K	34.1	Very low	35.8	Very low	183 Å²	183	131.9 Å²	131.9	80%	0.796	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-72.9	124.1	163	-168.4	177	-177.8	-178.5	0	106.9	V82	K80-V82 PolarHBondContact O-N 3.07Å
81	P	34	Very low	35.7	Very low	68 Å²	68	134.7 Å²	134.7	44%	0.442	68%	0.679	S	S	.	*	P	Polyproline II helix	trans	-63.1	121.7	174.2	23.9	-29.8	0	0	0	108.8	L52 I83	L52-P81 HydrophobicContact CD2-CB 4.12Å; L52-P81 HydrophobicContact CD2-CG 4.28Å; P81-I83 PolarHBondContact O-N 2.71Å
82	V	28.9	Very low	35.4	Very low	120 Å²	120	138.6 Å²	138.6	73%	0.727	69%	0.693	S	S	*	*			trans	-76.4	112.1	165.2	177.2	0	0	0	0	106.1	K80	K80-V82 PolarHBondContact O-N 3.07Å
83	I	29	Very low	35	Very low	153 Å²	153	142.5 Å²	142.5	79%	0.785	70%	0.701	S	S	*	*			trans	-86.6	117.9	169.2	-56.4	170.4	0	0	0	104.8	P81	P81-I83 PolarHBondContact O-N 2.71Å
84	F	31.3	Very low	34.6	Very low	258 Å²	258	144 Å²	144	100%	1.132	70%	0.695	S	S	*	*			trans	-76.7	0	165.9	-76.1	-80.6	0	0	0	109.7

Retrieved 84 of 84 residues in 389.8 ms (Link to these results)

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