A0A077Z901_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z901, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 89 aa.

						>A0A077Z901_TRITR|A0A077Z901
MLQNSAVDRIRTCAEAKADSGYCRSFAHRAAWQPIHPYCYRCVFQVRRGSFYTQPGSYDGNGNLGSRSLFPEMCRELSITKTWITPYDP
					

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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	34.2	Very low	51.7	Low	239 Å²	239	101.7 Å²	101.7	100%	1.177	51%	0.508	S	S	*	.				0	137.8	0	-63.5	177.4	-168.9	0	0	107.2
2	L	36.2	Very low	52.4	Low	161 Å²	161	99.9 Å²	99.9	84%	0.843	51%	0.506	S	S	*	.			trans	87.9	58.9	-168.5	-57.5	157.5	0	0	0	116
3	Q	36.8	Very low	52.8	Low	190 Å²	190	94.5 Å²	94.5	89%	0.888	48%	0.483	S	S	*	.			trans	-108.3	76.8	145.3	-80.7	-177.1	-28.1	0	0	107	S5	Q3-S5 PolarHBondContact O-N 2.63Å
4	N	51	Low	53.2	Low	100 Å²	100	87.8 Å²	87.8	54%	0.535	45%	0.448	S	S	.	.			trans	-62	91.3	154.9	-92.4	-29.5	0	0	0	105.2
5	S	62.5	Low	53.6	Low	57 Å²	57	89.1 Å²	89.1	40%	0.399	45%	0.452	S	S	.	.			trans	-55.7	145.3	-178.4	-178.3	0	0	0	0	108	Q3 V7 D8 R9	Q3-S5 PolarHBondContact O-N 2.63Å; S5-V7 PolarHBondContact O-N 2.97Å; S5-D8 PolarHBondContact O-N 3.47Å; S5-R9 PolarHBondContact O-N 2.87Å
6	A	56.2	Low	53.8	Low	30 Å²	30	87.1 Å²	87.1	25%	0.248	45%	0.453	C	S	.	.	H	α-helix	trans	-46.7	-34.6	173.9	0	0	0	0	0	111.3	R9 I10 Y38 G60	A6-R9 PolarHBondContact O-N 3.26Å; A6-I10 WeakPolarHBondContact O-CB 3.23Å; A6-I10 VanDerWaalsContact O-CD1 3.3Å; A6-I10 WeakPolarHBondContact O-CD1 3.38Å; A6-I10 WeakPolarHBondContact O-CG1 3.24Å; A6-I10 PolarHBondContact O-N 3.19Å; A6-Y38 HydrophobicContact CB-CE1 4.32Å; A6-G60 WeakPolarHBondContact CB-O 3.27Å
7	V	56	Low	54	Low	54 Å²	54	86.9 Å²	86.9	33%	0.327	45%	0.448	S	S	.	.	H	α-helix	trans	-60.3	-43.5	175.7	-175.1	0	0	0	0	113.1	S5 I10 R11 P37	S5-V7 PolarHBondContact O-N 2.97Å; V7-I10 PolarHBondContact O-N 3.49Å; V7-R11 WeakPolarHBondContact O-CB 3.48Å; V7-R11 PolarHBondContact O-N 3.22Å; V7-P37 HydrophobicContact CG2-CB 4.06Å
8	D	59.7	Low	54	Low	52 Å²	52	83.3 Å²	83.3	28%	0.278	43%	0.433	S	S	.	.	H	α-helix	trans	-67.1	-41.5	178.5	-73.3	-57.9	0	0	0	111.3	S5 I10 R11 T12	S5-D8 PolarHBondContact O-N 3.47Å; D8-I10 VanDerWaalsContact C-N 3.3Å; D8-I10 PolarHBondContact O-N 3.36Å; D8-R11 PolarHBondContact O-N 2.95Å; D8-R11 IonicContact OD1-CZ 3.46Å; D8-R11 IonicContact OD1-NH1 3.9Å; D8-R11 IonicContact OD1-NH2 2.72Å; D8-R11 PolarHBondContact OD1-NH2 3.26Å; D8-T12 PolarHBondContact O-N 2.91Å; D8-T12 PolarHBondContact O-OG1 3.18Å; D8-T12 VanDerWaalsContact O-OG1 3.11Å
9	R	57.4	Low	53.9	Low	127 Å²	127	84.6 Å²	84.6	48%	0.479	44%	0.441	S	S	.	.	H	α-helix	trans	-61.6	-42.3	176.7	-65.9	-177.2	-178.4	-175.7	-1.5	111.5	S5 A6 C13	S5-R9 PolarHBondContact O-N 2.87Å; A6-R9 PolarHBondContact O-N 3.26Å; R9-C13 PolarHBondContact O-N 3.2Å
10	I	58.8	Low	53.7	Low	0 Å²	0	83.8 Å²	83.8	0%	0	44%	0.443	C	S	.	.	H	α-helix	trans	-65.3	-45.3	177.3	-67.9	164.1	0	0	0	110.5	A6 V7 D8 T12 C13 A14 Y38 Y40 Y58 D59	A6-I10 WeakPolarHBondContact O-CB 3.23Å; A6-I10 VanDerWaalsContact O-CD1 3.3Å; A6-I10 WeakPolarHBondContact O-CD1 3.38Å; A6-I10 WeakPolarHBondContact O-CG1 3.24Å; A6-I10 PolarHBondContact O-N 3.19Å; V7-I10 PolarHBondContact O-N 3.49Å; D8-I10 VanDerWaalsContact C-N 3.3Å; D8-I10 PolarHBondContact O-N 3.36Å; I10-T12 PolarHBondContact O-N 2.98Å; I10-C13 PolarHBondContact O-N 3.06Å; I10-A14 WeakPolarHBondContact O-CB 3.14Å; I10-A14 PolarHBondContact O-N 2.95Å; I10-Y38 HydrophobicContact CD1-CD1 3.33Å; I10-Y38 HydrophobicContact CD1-CE1 3.85Å; I10-Y38 HydrophobicContact CD1-CG 4.3Å; I10-Y40 HydrophobicContact CB-CE2 4.45Å; I10-Y40 HydrophobicContact CG2-CD2 3.72Å; I10-Y40 HydrophobicContact CG2-CE2 3.3Å; I10-Y58 HydrophobicContact CG2-CD2 4.25Å; I10-Y58 HydrophobicContact CG2-CG 3.9Å; I10-D59 WeakPolarHBondContact CD1-O 3.21Å; I10-D59 WeakPolarHBondContact CG1-O 3.45Å
11	R	60.2	Low	53.6	Low	109 Å²	109	80.9 Å²	80.9	41%	0.411	43%	0.433	S	S	.	.	H	α-helix	trans	-57.4	-51.3	176.3	-174.1	-175.3	60.1	-156.6	-15.8	111	V7 D8 C13 A14 E15 Y40	V7-R11 WeakPolarHBondContact O-CB 3.48Å; V7-R11 PolarHBondContact O-N 3.22Å; D8-R11 PolarHBondContact O-N 2.95Å; D8-R11 IonicContact OD1-CZ 3.46Å; D8-R11 IonicContact OD1-NH1 3.9Å; D8-R11 IonicContact OD1-NH2 2.72Å; D8-R11 PolarHBondContact OD1-NH2 3.26Å; R11-C13 VanDerWaalsContact C-N 3.27Å; R11-C13 PolarHBondContact O-N 2.87Å; R11-A14 PolarHBondContact O-N 2.89Å; R11-A14 VanDerWaalsContact O-N 3.13Å; R11-E15 HydrophobicContact CG-CG 4.37Å; R11-E15 WeakPolarHBondContact O-CB 3.32Å; R11-E15 WeakPolarHBondContact O-CG 3.31Å; R11-E15 PolarHBondContact O-N 3.42Å; R11-Y40 VanDerWaalsContact CA-OH 3.26Å; R11-Y40 WeakPolarHBondContact CA-OH 3.42Å; R11-Y40 VanDerWaalsContact CB-OH 3.29Å; R11-Y40 WeakPolarHBondContact CB-OH 3.49Å
12	T	59.6	Low	54.5	Low	80 Å²	80	74.5 Å²	74.5	49%	0.491	40%	0.397	S	S	.	.	H	α-helix	trans	-59.9	-37.4	179.2	-60.1	0	0	0	0	111.8	D8 I10 A16	D8-T12 PolarHBondContact O-N 2.91Å; D8-T12 PolarHBondContact O-OG1 3.18Å; D8-T12 VanDerWaalsContact O-OG1 3.11Å; I10-T12 PolarHBondContact O-N 2.98Å; T12-A16 VanDerWaalsContact O-CB 3.23Å; T12-A16 WeakPolarHBondContact O-CB 3.43Å; T12-A16 PolarHBondContact O-N 3.34Å
13	C	58.2	Low	55.2	Low	30 Å²	30	66.9 Å²	66.9	20%	0.203	36%	0.356	C	S	.	.	H	α-helix	trans	-71.3	-40.3	175.2	-167.2	0	0	0	0	112.7	R9 I10 R11 E15 A16 K17 Y58 G62	R9-C13 PolarHBondContact O-N 3.2Å; I10-C13 PolarHBondContact O-N 3.06Å; R11-C13 VanDerWaalsContact C-N 3.27Å; R11-C13 PolarHBondContact O-N 2.87Å; C13-E15 VanDerWaalsContact C-N 3.31Å; C13-E15 PolarHBondContact O-N 3.39Å; C13-A16 PolarHBondContact O-N 2.86Å; C13-K17 WeakPolarHBondContact O-CB 3.15Å; C13-K17 VanDerWaalsContact O-CG 3.23Å; C13-K17 WeakPolarHBondContact O-CG 3.25Å; C13-K17 PolarHBondContact O-N 3.45Å; C13-Y58 HydrophobicContact CB-CD1 4.2Å; C13-Y58 HydrophobicContact CB-CE1 4.08Å; C13-G62 WeakPolarHBondContact CB-O 3.31Å; C13-G62 PolarHBondContact SG-O 2.75Å
14	A	58.7	Low	55.9	Low	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.8	-42.2	174.6	0	0	0	0	0	111.6	I10 R11 K17 A18 Y40 Y58	I10-A14 WeakPolarHBondContact O-CB 3.14Å; I10-A14 PolarHBondContact O-N 2.95Å; R11-A14 PolarHBondContact O-N 2.89Å; R11-A14 VanDerWaalsContact O-N 3.13Å; A14-K17 PolarHBondContact O-N 3.05Å; A14-A18 PolarHBondContact O-N 2.76Å; A14-Y40 HydrophobicContact CB-CD1 3.3Å; A14-Y40 HydrophobicContact CB-CD2 4.12Å; A14-Y40 HydrophobicContact CB-CE1 3.63Å; A14-Y40 HydrophobicContact CB-CE2 4.47Å; A14-Y40 HydrophobicContact CB-CG 3.57Å; A14-Y58 HydrophobicContact CB-CE2 4.24Å
15	E	58.8	Low	56	Low	107 Å²	107	64.4 Å²	64.4	50%	0.5	35%	0.346	S	S	.	.	H	α-helix	trans	-64.5	-46.6	173.5	-70.5	169.1	162.2	0	0	111.6	R11 C13 K17 A18 D19	R11-E15 HydrophobicContact CG-CG 4.37Å; R11-E15 WeakPolarHBondContact O-CB 3.32Å; R11-E15 WeakPolarHBondContact O-CG 3.31Å; R11-E15 PolarHBondContact O-N 3.42Å; C13-E15 VanDerWaalsContact C-N 3.31Å; C13-E15 PolarHBondContact O-N 3.39Å; E15-K17 VanDerWaalsContact C-N 3.27Å; E15-K17 PolarHBondContact O-N 2.91Å; E15-A18 WeakPolarHBondContact O-CA 3.4Å; E15-A18 WeakPolarHBondContact O-CB 3.34Å; E15-A18 PolarHBondContact O-N 2.91Å; E15-D19 PolarHBondContact O-N 2.63Å
16	A	56.5	Low	55.4	Low	57 Å²	57	67.4 Å²	67.4	47%	0.471	35%	0.352	S	S	.	.	H	α-helix	trans	-61.2	-35	176.5	0	0	0	0	0	112.4	T12 C13 D19 S20	T12-A16 VanDerWaalsContact O-CB 3.23Å; T12-A16 WeakPolarHBondContact O-CB 3.43Å; T12-A16 PolarHBondContact O-N 3.34Å; C13-A16 PolarHBondContact O-N 2.86Å; A16-D19 PolarHBondContact O-N 3.13Å; A16-S20 PolarHBondContact O-N 2.88Å
17	K	56.8	Low	55.2	Low	84 Å²	84	66.7 Å²	66.7	37%	0.365	35%	0.346	S	S	.	.	H	α-helix	trans	-77	-21.4	174.2	-68.3	-66.9	-176.5	-176.3	0	113.1	C13 A14 E15 S20	C13-K17 WeakPolarHBondContact O-CB 3.15Å; C13-K17 VanDerWaalsContact O-CG 3.23Å; C13-K17 WeakPolarHBondContact O-CG 3.25Å; C13-K17 PolarHBondContact O-N 3.45Å; A14-K17 PolarHBondContact O-N 3.05Å; E15-K17 VanDerWaalsContact C-N 3.27Å; E15-K17 PolarHBondContact O-N 2.91Å; K17-S20 PolarHBondContact O-OG 3.39Å
18	A	53.7	Low	55.1	Low	22 Å²	22	73.9 Å²	73.9	18%	0.182	38%	0.376	C	S	.	.	H	α-helix	trans	-63	-37.3	165.4	0	0	0	0	0	111	A14 E15 R24 W32	A14-A18 PolarHBondContact O-N 2.76Å; E15-A18 WeakPolarHBondContact O-CA 3.4Å; E15-A18 WeakPolarHBondContact O-CB 3.34Å; E15-A18 PolarHBondContact O-N 2.91Å; A18-R24 PolarHBondContact O-NE 2.81Å; A18-W32 HydrophobicContact CB-CG 4.38Å
19	D	52.2	Low	55	Low	109 Å²	109	80.1 Å²	80.1	58%	0.583	40%	0.395	S	S	*	.	H	α-helix	trans	-82.3	-30.5	-179.6	-141.1	-14.9	0	0	0	112.9	E15 A16 G21 R24	E15-D19 PolarHBondContact O-N 2.63Å; A16-D19 PolarHBondContact O-N 3.13Å; D19-G21 PolarHBondContact O-N 3.32Å; D19-R24 IonicContact OD1-CZ 3.42Å; D19-R24 IonicContact OD1-NH1 3.63Å; D19-R24 IonicContact OD1-NH2 2.75Å; D19-R24 PolarHBondContact OD1-NH2 2.94Å
20	S	51	Low	55.1	Low	68 Å²	68	75.2 Å²	75.2	48%	0.476	38%	0.382	S	S	.	.	S	Bend	trans	-70.3	16.5	-176.4	86.1	0	0	0	0	115.5	A16 K17 Y22	A16-S20 PolarHBondContact O-N 2.88Å; K17-S20 PolarHBondContact O-OG 3.39Å; S20-Y22 PolarHBondContact O-N 3.14Å
21	G	50.7	Low	55.3	Low	23 Å²	23	77.8 Å²	77.8	24%	0.237	40%	0.404	C	S	.	.	S	Bend	trans	76.8	-20.7	177.2	0	0	0	0	0	115.4	D19 C23 R24 S25	D19-G21 PolarHBondContact O-N 3.32Å; G21-C23 PolarHBondContact O-N 2.02Å; G21-C23 VanDerWaalsContact O-N 3.13Å; G21-R24 CarbonylContact O-C 3.55Å; G21-R24 PolarHBondContact O-N 3.47Å; G21-S25 WeakPolarHBondContact O-CB 3.27Å; G21-S25 PolarHBondContact O-N 2.75Å; G21-S25 PolarHBondContact O-OG 2.73Å
22	Y	53.4	Low	55.5	Low	105 Å²	105	74.1 Å²	74.1	41%	0.412	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-40.2	-175.6	-169.7	-98.4	0	0	0	113	S20 F26 W32 Q54	S20-Y22 PolarHBondContact O-N 3.14Å; Y22-F26 WeakPolarHBondContact O-CD2 3.31Å; Y22-W32 HydrophobicContact CD1-CZ2 4.2Å; Y22-Q54 VanDerWaalsContact CE1-OE1 3.29Å; Y22-Q54 PolarHBondContact OH-NE2 2.97Å; Y22-Q54 VanDerWaalsContact OH-NE2 3.14Å; Y22-Q54 PolarHBondContact OH-OE1 2.95Å
23	C	51.4	Low	55.7	Low	0 Å²	0	74.2 Å²	74.2	0%	0	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-35	175.8	-159.1	0	0	0	0	111.8	G21 S25 A30 C42	G21-C23 PolarHBondContact O-N 2.02Å; G21-C23 VanDerWaalsContact O-N 3.13Å; C23-S25 VanDerWaalsContact C-N 3.35Å; C23-S25 PolarHBondContact O-N 3.2Å; C23-A30 VanDerWaalsContact C-CB 3.44Å; C23-A30 HydrophobicContact CB-CB 4.02Å; C23-A30 WeakPolarHBondContact O-CB 3.14Å; C23-A30 WeakPolarHBondContact SG-CB 3.24Å; C23-C42 WeakPolarHBondContact CA-SG 3.49Å; C23-C42 HydrophobicContact CB-CB 4.08Å; C23-C42 WeakPolarHBondContact CB-SG 3.03Å; C23-C42 WeakPolarHBondContact SG-CB 3.33Å; C23-C42 CovalentContact SG-SG 2.02Å; C23-C42 PolarHBondContact SG-SG 2.84Å
24	R	51.6	Low	56.2	Low	144 Å²	144	77 Å²	77	54%	0.543	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-73.9	-20	-179.9	-59.1	-170.5	-167.9	169.3	8.8	113.9	A18 D19 G21 F26	A18-R24 PolarHBondContact O-NE 2.81Å; D19-R24 IonicContact OD1-CZ 3.42Å; D19-R24 IonicContact OD1-NH1 3.63Å; D19-R24 IonicContact OD1-NH2 2.75Å; D19-R24 PolarHBondContact OD1-NH2 2.94Å; G21-R24 CarbonylContact O-C 3.55Å; G21-R24 PolarHBondContact O-N 3.47Å; R24-F26 PolarHBondContact O-N 3.35Å
25	S	52.8	Low	56.6	Low	94 Å²	94	79.4 Å²	79.4	66%	0.657	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-63.9	-20.7	178.3	-66.9	0	0	0	0	113.1	G21 C23	G21-S25 WeakPolarHBondContact O-CB 3.27Å; G21-S25 PolarHBondContact O-N 2.75Å; G21-S25 PolarHBondContact O-OG 2.73Å; C23-S25 VanDerWaalsContact C-N 3.35Å; C23-S25 PolarHBondContact O-N 3.2Å
26	F	50.3	Low	56.9	Low	120 Å²	120	77.6 Å²	77.6	53%	0.526	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-107.2	-11.7	-175.1	-61.2	-80.4	0	0	0	114.6	Y22 R24 F44	Y22-F26 WeakPolarHBondContact O-CD2 3.31Å; R24-F26 PolarHBondContact O-N 3.35Å; F26-F44 HydrophobicContact CB-CD2 3.61Å; F26-F44 HydrophobicContact CB-CE1 4.35Å; F26-F44 HydrophobicContact CB-CE2 3.36Å; F26-F44 HydrophobicContact CB-CG 4.2Å; F26-F44 HydrophobicContact CB-CZ 3.76Å; F26-F44 HydrophobicContact CG-CE2 4.23Å; F26-F44 HydrophobicContact CG-CZ 4.19Å
27	A	51.8	Low	57.2	Low	16 Å²	16	77.7 Å²	77.7	13%	0.132	40%	0.402	C	S	.	.			trans	-160.5	153.5	174.6	0	0	0	0	0	114.1	R29 F44 Q45	A27-R29 PolarHBondContact O-N 3.44Å; A27-R29 VanDerWaalsContact O-N 3.13Å; A27-F44 HydrophobicContact CB-CB 3.7Å; A27-F44 HydrophobicContact CB-CD2 4.05Å; A27-F44 HydrophobicContact CB-CG 4.36Å; A27-Q45 WeakPolarHBondContact CB-O 3.42Å
28	H	54.4	Low	57.4	Low	205 Å²	205	78 Å²	78	95%	0.949	40%	0.401	S	S	*	.	S	Bend	trans	-57.1	-23.5	168.4	-83.9	-86.6	0	0	0	113.9
29	R	56.6	Low	57.8	Low	182 Å²	182	77 Å²	77	69%	0.687	39%	0.393	S	S	*	.	S	Bend	trans	-135.1	107.3	178.5	-68.9	-176.7	175.5	-172.7	-2.4	109.2	A27 F44 Q45	A27-R29 PolarHBondContact O-N 3.44Å; A27-R29 VanDerWaalsContact O-N 3.13Å; R29-F44 WeakPolarHBondContact O-CA 3.06Å; R29-Q45 HydrophobicContact CB-CB 4.3Å; R29-Q45 PolarHBondContact O-N 2.78Å
30	A	60.3	Low	58.5	Low	25 Å²	25	72.5 Å²	72.5	21%	0.207	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	131.5	-178.7	0	0	0	0	0	109	C23 V43 F44	C23-A30 VanDerWaalsContact C-CB 3.44Å; C23-A30 HydrophobicContact CB-CB 4.02Å; C23-A30 WeakPolarHBondContact O-CB 3.14Å; C23-A30 WeakPolarHBondContact SG-CB 3.24Å; A30-V43 CarbonylContact C-O 3.58Å; A30-V43 WeakPolarHBondContact CA-O 3.39Å; A30-F44 HydrophobicContact CB-CB 3.71Å
31	A	62.4	Low	59.3	Low	54 Å²	54	72 Å²	72	45%	0.446	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	136.3	-177.7	0	0	0	0	0	109.7	V43	A31-V43 PolarHBondContact N-O 2.74Å; A31-V43 PolarHBondContact O-N 3.48Å
32	W	63.7	Low	60	Low	32 Å²	32	71 Å²	71	12%	0.121	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.4	168.9	-74.8	85.9	0	0	0	109.7	A18 Y22 R41 C42 Y58	A18-W32 HydrophobicContact CB-CG 4.38Å; Y22-W32 HydrophobicContact CD1-CZ2 4.2Å; W32-R41 CarbonylContact C-O 3.58Å; W32-R41 VanDerWaalsContact CA-O 3.31Å; W32-R41 WeakPolarHBondContact CA-O 3.33Å; W32-C42 HydrophobicContact CD2-CB 3.82Å; W32-C42 HydrophobicContact CE3-CB 3.93Å; W32-C42 HydrophobicContact CH2-CB 3.74Å; W32-C42 HydrophobicContact CZ2-CB 3.63Å; W32-C42 HydrophobicContact CZ3-CB 3.89Å; W32-Y58 HydrophobicContact CZ3-CE2 4.43Å
33	Q	64.8	Low	60.5	Low	82 Å²	82	66.8 Å²	66.8	38%	0.383	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.8	174.7	-71	-171.4	-22.6	0	0	109.9	I35 Y40 R41 V43	Q33-I35 PolarHBondContact O-N 3.12Å; Q33-Y40 WeakPolarHBondContact O-CA 3.47Å; Q33-R41 HydrophobicContact CB-CG 4.2Å; Q33-R41 PolarHBondContact N-O 2.95Å; Q33-R41 PolarHBondContact O-N 2.02Å; Q33-V43 HydrophobicContact CB-CG2 4.05Å; Q33-V43 HydrophobicContact CG-CG2 3.78Å
34	P	67.4	Low	61	Low	88 Å²	88	67.7 Å²	67.7	57%	0.571	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	133	169	28.4	-32.3	0	0	0	109.1	Y40	P34-Y40 HydrophobicContact CB-CD1 4.1Å; P34-Y40 HydrophobicContact CB-CE1 3.74Å; P34-Y40 HydrophobicContact CG-CE1 4.46Å
35	I	67.4	Low	61.4	Low	51 Å²	51	63.6 Å²	63.6	26%	0.262	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-21	171.4	51.3	165.2	0	0	0	111.7	Q33 C39 R41 L77	Q33-I35 PolarHBondContact O-N 3.12Å; I35-C39 HydrophobicContact CD1-CB 3.73Å; I35-C39 HydrophobicContact CG1-CB 3.56Å; I35-C39 WeakPolarHBondContact CG1-O 3.16Å; I35-C39 PolarHBondContact N-O 2.91Å; I35-R41 HydrophobicContact CG2-CG 3.86Å; I35-L77 HydrophobicContact CD1-CB 3.98Å; I35-L77 HydrophobicContact CD1-CD1 4.44Å
36	H	65	Low	61.6	Low	69 Å²	69	62 Å²	62	32%	0.319	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	159.5	174.9	-167.3	-103.7	0	0	0	108.1	Y38 C39 M73 L77	H36-Y38 AromaticContact CE1-CD2 3.98Å; H36-Y38 AromaticContact ND1-CD2 3.88Å; H36-Y38 PolarHBondContact O-N 2.94Å; H36-C39 HydrophobicContact CB-CB 3.68Å; H36-C39 PolarHBondContact N-O 2.82Å; H36-C39 VanDerWaalsContact N-O 3.12Å; H36-C39 PolarHBondContact O-N 3.49Å; H36-M73 PolarHBondContact CE1-SD 3.13Å; H36-M73 PolarHBondContact ND1-SD 3.31Å; H36-M73 VanDerWaalsContact ND1-SD 3.44Å; H36-L77 HydrophobicContact CB-CD1 3.99Å
37	P	63.3	Low	61.8	Low	59 Å²	59	65.9 Å²	65.9	38%	0.383	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-26.5	174.8	-33.6	36.8	0	0	0	115.8	V7	V7-P37 HydrophobicContact CG2-CB 4.06Å
38	Y	61.2	Low	61.8	Low	90 Å²	90	76.9 Å²	76.9	35%	0.353	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	1.9	180	-55.6	-77	0	0	0	114.5	A6 I10 H36 Y58	A6-Y38 HydrophobicContact CB-CE1 4.32Å; I10-Y38 HydrophobicContact CD1-CD1 3.33Å; I10-Y38 HydrophobicContact CD1-CE1 3.85Å; I10-Y38 HydrophobicContact CD1-CG 4.3Å; H36-Y38 AromaticContact CE1-CD2 3.98Å; H36-Y38 AromaticContact ND1-CD2 3.88Å; H36-Y38 PolarHBondContact O-N 2.94Å; Y38-Y58 PolarHBondContact O-N 3.46Å; Y38-Y58 VanDerWaalsContact O-N 3.11Å
39	C	62.5	Low	61.4	Low	0 Å²	0	68.2 Å²	68.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	126.2	-172.6	-46.7	0	0	0	0	109.6	I35 H36 C74	I35-C39 HydrophobicContact CD1-CB 3.73Å; I35-C39 HydrophobicContact CG1-CB 3.56Å; I35-C39 WeakPolarHBondContact CG1-O 3.16Å; I35-C39 PolarHBondContact N-O 2.91Å; H36-C39 HydrophobicContact CB-CB 3.68Å; H36-C39 PolarHBondContact N-O 2.82Å; H36-C39 VanDerWaalsContact N-O 3.12Å; H36-C39 PolarHBondContact O-N 3.49Å; C39-C74 HydrophobicContact CB-CB 3.94Å; C39-C74 WeakPolarHBondContact CB-SG 2.93Å; C39-C74 WeakPolarHBondContact SG-CA 3.43Å; C39-C74 WeakPolarHBondContact SG-CB 3.17Å; C39-C74 CovalentContact SG-SG 2.02Å; C39-C74 PolarHBondContact SG-SG 3.06Å
40	Y	65.8	Low	60.8	Low	16 Å²	16	61.2 Å²	61.2	6%	0.063	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	154.8	174	-72	-112.5	0	0	0	108.7	I10 R11 A14 Q33 P34 G56 Y58	I10-Y40 HydrophobicContact CB-CE2 4.45Å; I10-Y40 HydrophobicContact CG2-CD2 3.72Å; I10-Y40 HydrophobicContact CG2-CE2 3.3Å; R11-Y40 VanDerWaalsContact CA-OH 3.26Å; R11-Y40 WeakPolarHBondContact CA-OH 3.42Å; R11-Y40 VanDerWaalsContact CB-OH 3.29Å; R11-Y40 WeakPolarHBondContact CB-OH 3.49Å; A14-Y40 HydrophobicContact CB-CD1 3.3Å; A14-Y40 HydrophobicContact CB-CD2 4.12Å; A14-Y40 HydrophobicContact CB-CE1 3.63Å; A14-Y40 HydrophobicContact CB-CE2 4.47Å; A14-Y40 HydrophobicContact CB-CG 3.57Å; Q33-Y40 WeakPolarHBondContact O-CA 3.47Å; P34-Y40 HydrophobicContact CB-CD1 4.1Å; P34-Y40 HydrophobicContact CB-CE1 3.74Å; P34-Y40 HydrophobicContact CG-CE1 4.46Å; Y40-G56 PolarHBondContact N-O 2.85Å; Y40-G56 CarbonylContact O-C 3.57Å; Y40-G56 PolarHBondContact O-N 3.31Å; Y40-Y58 HydrophobicContact CD2-CD2 4.11Å; Y40-Y58 HydrophobicContact CD2-CE2 4.41Å; Y40-Y58 HydrophobicContact CG-CE2 4.37Å
41	R	67.8	Low	60.5	Low	58 Å²	58	62.3 Å²	62.3	22%	0.219	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.3	173.1	66	179.7	-177.1	-179.7	1.7	109.9	W32 Q33 I35 V43	W32-R41 CarbonylContact C-O 3.58Å; W32-R41 VanDerWaalsContact CA-O 3.31Å; W32-R41 WeakPolarHBondContact CA-O 3.33Å; Q33-R41 HydrophobicContact CB-CG 4.2Å; Q33-R41 PolarHBondContact N-O 2.95Å; Q33-R41 PolarHBondContact O-N 2.02Å; I35-R41 HydrophobicContact CG2-CG 3.86Å; R41-V43 HydrophobicContact CG-CG2 3.86Å; R41-V43 PolarHBondContact O-N 2.86Å
42	C	65	Low	60	Low	1 Å²	1	65.7 Å²	65.7	1%	0.007	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	111.6	171.3	164.7	0	0	0	0	107.1	C23 W32 F44 T53 Q54	C23-C42 WeakPolarHBondContact CA-SG 3.49Å; C23-C42 HydrophobicContact CB-CB 4.08Å; C23-C42 WeakPolarHBondContact CB-SG 3.03Å; C23-C42 WeakPolarHBondContact SG-CB 3.33Å; C23-C42 CovalentContact SG-SG 2.02Å; C23-C42 PolarHBondContact SG-SG 2.84Å; W32-C42 HydrophobicContact CD2-CB 3.82Å; W32-C42 HydrophobicContact CE3-CB 3.93Å; W32-C42 HydrophobicContact CH2-CB 3.74Å; W32-C42 HydrophobicContact CZ2-CB 3.63Å; W32-C42 HydrophobicContact CZ3-CB 3.89Å; C42-F44 VanDerWaalsContact SG-CD1 3.59Å; C42-T53 CarbonylContact O-C 3.57Å; C42-T53 WeakPolarHBondContact O-CA 3.16Å; C42-Q54 PolarHBondContact N-O 3.11Å; C42-Q54 PolarHBondContact O-N 2.92Å
43	V	64	Low	59.6	Low	16 Å²	16	65.8 Å²	65.8	10%	0.097	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.7	176	-172.1	0	0	0	0	108.2	A30 A31 Q33 R41 F51 Y52 T53	A30-V43 CarbonylContact C-O 3.58Å; A30-V43 WeakPolarHBondContact CA-O 3.39Å; A31-V43 PolarHBondContact N-O 2.74Å; A31-V43 PolarHBondContact O-N 3.48Å; Q33-V43 HydrophobicContact CB-CG2 4.05Å; Q33-V43 HydrophobicContact CG-CG2 3.78Å; R41-V43 HydrophobicContact CG-CG2 3.86Å; R41-V43 PolarHBondContact O-N 2.86Å; V43-F51 HydrophobicContact CG1-CB 3.89Å; V43-F51 HydrophobicContact CG1-CD1 3.72Å; V43-F51 HydrophobicContact CG1-CG 4.07Å; V43-Y52 WeakPolarHBondContact CA-O 3.47Å; V43-T53 HydrophobicContact CB-CG2 4.35Å; V43-T53 HydrophobicContact CG1-CG2 4.23Å; V43-T53 HydrophobicContact CG2-CG2 3.89Å
44	F	63.4	Low	59	Low	20 Å²	20	65.1 Å²	65.1	9%	0.088	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	137.6	-178.6	60.2	-90	0	0	0	112.4	F26 A27 R29 A30 C42 V46 F51 Y52	F26-F44 HydrophobicContact CB-CD2 3.61Å; F26-F44 HydrophobicContact CB-CE1 4.35Å; F26-F44 HydrophobicContact CB-CE2 3.36Å; F26-F44 HydrophobicContact CB-CG 4.2Å; F26-F44 HydrophobicContact CB-CZ 3.76Å; F26-F44 HydrophobicContact CG-CE2 4.23Å; F26-F44 HydrophobicContact CG-CZ 4.19Å; A27-F44 HydrophobicContact CB-CB 3.7Å; A27-F44 HydrophobicContact CB-CD2 4.05Å; A27-F44 HydrophobicContact CB-CG 4.36Å; R29-F44 WeakPolarHBondContact O-CA 3.06Å; A30-F44 HydrophobicContact CB-CB 3.71Å; C42-F44 VanDerWaalsContact SG-CD1 3.59Å; F44-V46 HydrophobicContact CD2-CG2 3.47Å; F44-V46 VanDerWaalsContact CD2-CG2 3.47Å; F44-V46 HydrophobicContact CE2-CG2 3.46Å; F44-V46 VanDerWaalsContact CE2-CG2 3.46Å; F44-V46 PolarHBondContact O-N 3.05Å; F44-F51 CarbonylContact O-C 3.5Å; F44-F51 VanDerWaalsContact O-CA 3.31Å; F44-F51 WeakPolarHBondContact O-CA 3.49Å; F44-Y52 WeakPolarHBondContact CD1-O 3.48Å; F44-Y52 WeakPolarHBondContact CE1-O 3.13Å; F44-Y52 HydrophobicContact CE2-CG 4.01Å; F44-Y52 HydrophobicContact CZ-CG 4.18Å; F44-Y52 PolarHBondContact N-O 2.98Å; F44-Y52 PolarHBondContact O-N 3Å
45	Q	59.2	Low	58.4	Low	57 Å²	57	63 Å²	63	27%	0.266	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	105.7	-176.2	-175.2	-177.7	7.6	0	0	110.2	A27 R29 F51	A27-Q45 WeakPolarHBondContact CB-O 3.42Å; R29-Q45 HydrophobicContact CB-CB 4.3Å; R29-Q45 PolarHBondContact O-N 2.78Å; Q45-F51 HydrophobicContact CB-CD1 4.23Å; Q45-F51 HydrophobicContact CB-CE1 4.03Å; Q45-F51 HydrophobicContact CG-CE1 4.39Å
46	V	57.1	Low	57.9	Low	61 Å²	61	61 Å²	61	37%	0.37	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-37.8	-176.9	172.4	0	0	0	0	111.9	F44 S50 Y52	F44-V46 HydrophobicContact CD2-CG2 3.47Å; F44-V46 VanDerWaalsContact CD2-CG2 3.47Å; F44-V46 HydrophobicContact CE2-CG2 3.46Å; F44-V46 VanDerWaalsContact CE2-CG2 3.46Å; F44-V46 PolarHBondContact O-N 3.05Å; V46-S50 PolarHBondContact N-O 3.32Å; V46-Y52 HydrophobicContact CB-CD2 3.51Å; V46-Y52 HydrophobicContact CB-CE2 3.51Å; V46-Y52 HydrophobicContact CG1-CD2 4.25Å; V46-Y52 HydrophobicContact CG1-CE2 3.8Å; V46-Y52 HydrophobicContact CG2-CD2 3.09Å; V46-Y52 HydrophobicContact CG2-CE2 3.54Å; V46-Y52 HydrophobicContact CG2-CG 3.79Å
47	R	55.4	Low	57.6	Low	201 Å²	201	57.8 Å²	57.8	76%	0.758	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.1	166.6	174.6	-71.9	-167.1	171.1	-172.2	-4	109.6	G49 S50	R47-G49 PolarHBondContact O-N 3.13Å; R47-S50 PolarHBondContact O-N 2.97Å
48	R	50.5	Low	57.3	Low	248 Å²	248	55.2 Å²	55.2	94%	0.936	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.9	105.7	176.6	-85.8	-176.8	163.2	-177.9	-5	110.1
49	G	46.2	Very low	57.1	Low	22 Å²	22	53.4 Å²	53.4	23%	0.227	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	-0.8	177.2	0	0	0	0	0	117.6	R47 I84	R47-G49 PolarHBondContact O-N 3.13Å; G49-I84 VanDerWaalsContact O-CG2 3.27Å; G49-I84 WeakPolarHBondContact O-CG2 3.47Å
50	S	44.6	Very low	56.6	Low	35 Å²	35	55 Å²	55	25%	0.245	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	117.9	179.8	-53.5	0	0	0	0	112.1	V46 R47	V46-S50 PolarHBondContact N-O 3.32Å; R47-S50 PolarHBondContact O-N 2.97Å
51	F	53.5	Low	56.1	Low	48 Å²	48	59.2 Å²	59.2	21%	0.211	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.8	172.1	-62.7	-83.6	0	0	0	109.7	V43 F44 Q45 T85	V43-F51 HydrophobicContact CG1-CB 3.89Å; V43-F51 HydrophobicContact CG1-CD1 3.72Å; V43-F51 HydrophobicContact CG1-CG 4.07Å; F44-F51 CarbonylContact O-C 3.5Å; F44-F51 VanDerWaalsContact O-CA 3.31Å; F44-F51 WeakPolarHBondContact O-CA 3.49Å; Q45-F51 HydrophobicContact CB-CD1 4.23Å; Q45-F51 HydrophobicContact CB-CE1 4.03Å; Q45-F51 HydrophobicContact CG-CE1 4.39Å; F51-T85 WeakPolarHBondContact CD2-O 3.26Å; F51-T85 WeakPolarHBondContact CE2-O 3.25Å
52	Y	52.1	Low	55.5	Low	125 Å²	125	56.6 Å²	56.6	49%	0.49	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	138.1	170.3	-76.4	-106.9	0	0	0	107.8	V43 F44 V46	V43-Y52 WeakPolarHBondContact CA-O 3.47Å; F44-Y52 WeakPolarHBondContact CD1-O 3.48Å; F44-Y52 WeakPolarHBondContact CE1-O 3.13Å; F44-Y52 HydrophobicContact CE2-CG 4.01Å; F44-Y52 HydrophobicContact CZ-CG 4.18Å; F44-Y52 PolarHBondContact N-O 2.98Å; F44-Y52 PolarHBondContact O-N 3Å; V46-Y52 HydrophobicContact CB-CD2 3.51Å; V46-Y52 HydrophobicContact CB-CE2 3.51Å; V46-Y52 HydrophobicContact CG1-CD2 4.25Å; V46-Y52 HydrophobicContact CG1-CE2 3.8Å; V46-Y52 HydrophobicContact CG2-CD2 3.09Å; V46-Y52 HydrophobicContact CG2-CE2 3.54Å; V46-Y52 HydrophobicContact CG2-CG 3.79Å
53	T	54.9	Low	55.1	Low	35 Å²	35	61 Å²	61	22%	0.215	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.5	178.3	64.8	0	0	0	0	110.5	C42 V43	C42-T53 CarbonylContact O-C 3.57Å; C42-T53 WeakPolarHBondContact O-CA 3.16Å; V43-T53 HydrophobicContact CB-CG2 4.35Å; V43-T53 HydrophobicContact CG1-CG2 4.23Å; V43-T53 HydrophobicContact CG2-CG2 3.89Å
54	Q	52.8	Low	54.8	Low	68 Å²	68	64.2 Å²	64.2	32%	0.318	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.5	165.1	-167.3	179.3	11.4	0	0	108.4	Y22 C42	Y22-Q54 VanDerWaalsContact CE1-OE1 3.29Å; Y22-Q54 PolarHBondContact OH-NE2 2.97Å; Y22-Q54 VanDerWaalsContact OH-NE2 3.14Å; Y22-Q54 PolarHBondContact OH-OE1 2.95Å; C42-Q54 PolarHBondContact N-O 3.11Å; C42-Q54 PolarHBondContact O-N 2.92Å
55	P	55.2	Low	54.3	Low	44 Å²	44	64 Å²	64	29%	0.286	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	142.6	179.9	36.8	-40.3	0	0	0	111	F70 S78	P55-F70 HydrophobicContact CB-CE2 4.24Å; P55-F70 HydrophobicContact CB-CZ 3.59Å; P55-F70 HydrophobicContact CG-CE2 4.14Å; P55-F70 HydrophobicContact CG-CZ 3.55Å; P55-S78 WeakPolarHBondContact CB-OG 3.12Å; P55-S78 WeakPolarHBondContact CG-OG 3.2Å
56	G	57.6	Low	53.6	Low	7 Å²	7	64.8 Å²	64.8	7%	0.072	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	121.9	171.7	0	0	0	0	0	109.5	Y40	Y40-G56 PolarHBondContact N-O 2.85Å; Y40-G56 CarbonylContact O-C 3.57Å; Y40-G56 PolarHBondContact O-N 3.31Å
57	S	56.8	Low	53	Low	2 Å²	2	73.3 Å²	73.3	1%	0.014	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	139.9	167.1	49.7	0	0	0	0	109.1	G65 L69 F70	S57-G65 PolarHBondContact O-N 2.94Å; S57-L69 PolarHBondContact OG-O 2.9Å; S57-F70 WeakPolarHBondContact OG-CD2 3.45Å
58	Y	57.5	Low	52	Low	5 Å²	5	69 Å²	69	2%	0.02	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-119	135.2	173.9	-66.8	-99.1	0	0	0	108.8	I10 C13 A14 W32 Y38 Y40 G62 N63 L64	I10-Y58 HydrophobicContact CG2-CD2 4.25Å; I10-Y58 HydrophobicContact CG2-CG 3.9Å; C13-Y58 HydrophobicContact CB-CD1 4.2Å; C13-Y58 HydrophobicContact CB-CE1 4.08Å; A14-Y58 HydrophobicContact CB-CE2 4.24Å; W32-Y58 HydrophobicContact CZ3-CE2 4.43Å; Y38-Y58 PolarHBondContact O-N 3.46Å; Y38-Y58 VanDerWaalsContact O-N 3.11Å; Y40-Y58 HydrophobicContact CD2-CD2 4.11Å; Y40-Y58 HydrophobicContact CD2-CE2 4.41Å; Y40-Y58 HydrophobicContact CG-CE2 4.37Å; Y58-G62 WeakPolarHBondContact CD1-O 3.09Å; Y58-N63 CarbonylContact C-O 3.53Å; Y58-N63 VanDerWaalsContact CA-O 3.24Å; Y58-N63 WeakPolarHBondContact CA-O 3.49Å; Y58-L64 HydrophobicContact CE1-CD1 4.11Å; Y58-L64 HydrophobicContact CE2-CD1 4.24Å
59	D	57.9	Low	51.6	Low	53 Å²	53	63.1 Å²	63.1	28%	0.283	35%	0.345	S	S	.	.			trans	-68.9	170.3	171.9	73.3	6.4	0	0	0	110.6	I10 N61 G62 N63	I10-D59 WeakPolarHBondContact CD1-O 3.21Å; I10-D59 WeakPolarHBondContact CG1-O 3.45Å; D59-N61 PolarHBondContact O-N 3.26Å; D59-N61 VanDerWaalsContact OD1-C 3.27Å; D59-N61 VanDerWaalsContact OD1-CA 3.25Å; D59-N61 WeakPolarHBondContact OD1-CA 3.02Å; D59-N61 VanDerWaalsContact OD1-CB 3.26Å; D59-N61 WeakPolarHBondContact OD1-CB 3.11Å; D59-N61 PolarHBondContact OD1-N 3.45Å; D59-G62 PolarHBondContact O-N 2.95Å; D59-G62 PolarHBondContact OD1-N 3.43Å; D59-N63 PolarHBondContact N-O 3.01Å; D59-N63 PolarHBondContact OD1-N 3.31Å; D59-N63 PolarHBondContact OD1-ND2 3.41Å; D59-N63 WeakPolarHBondContact OD2-CB 3.41Å; D59-N63 PolarHBondContact OD2-ND2 3.19Å
60	G	50.8	Low	51.9	Low	33 Å²	33	64.6 Å²	64.6	34%	0.34	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-6.9	176.2	0	0	0	0	0	115	A6	A6-G60 WeakPolarHBondContact CB-O 3.27Å
61	N	56.8	Low	52.3	Low	104 Å²	104	65 Å²	65	56%	0.556	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-1.1	176.4	-56.6	-54.4	0	0	0	112.6	D59	D59-N61 PolarHBondContact O-N 3.26Å; D59-N61 VanDerWaalsContact OD1-C 3.27Å; D59-N61 VanDerWaalsContact OD1-CA 3.25Å; D59-N61 WeakPolarHBondContact OD1-CA 3.02Å; D59-N61 VanDerWaalsContact OD1-CB 3.26Å; D59-N61 WeakPolarHBondContact OD1-CB 3.11Å; D59-N61 PolarHBondContact OD1-N 3.45Å
62	G	53.8	Low	52.3	Low	3 Å²	3	70.4 Å²	70.4	3%	0.031	37%	0.373	C	S	.	.	S	Bend	trans	78.3	13.8	-175.9	0	0	0	0	0	113.8	C13 Y58 D59	C13-G62 WeakPolarHBondContact CB-O 3.31Å; C13-G62 PolarHBondContact SG-O 2.75Å; Y58-G62 WeakPolarHBondContact CD1-O 3.09Å; D59-G62 PolarHBondContact O-N 2.95Å; D59-G62 PolarHBondContact OD1-N 3.43Å
63	N	57.6	Low	52.4	Low	94 Å²	94	68.3 Å²	68.3	50%	0.503	37%	0.369	S	S	.	.			trans	-79.6	140.3	172.2	-57.1	-61.6	0	0	0	110.2	Y58 D59 G65	Y58-N63 CarbonylContact C-O 3.53Å; Y58-N63 VanDerWaalsContact CA-O 3.24Å; Y58-N63 WeakPolarHBondContact CA-O 3.49Å; D59-N63 PolarHBondContact N-O 3.01Å; D59-N63 PolarHBondContact OD1-N 3.31Å; D59-N63 PolarHBondContact OD1-ND2 3.41Å; D59-N63 WeakPolarHBondContact OD2-CB 3.41Å; D59-N63 PolarHBondContact OD2-ND2 3.19Å; N63-G65 PolarHBondContact O-N 2.82Å
64	L	56.7	Low	52.4	Low	84 Å²	84	66.7 Å²	66.7	44%	0.44	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-62.7	111.5	171.6	-167.6	83.6	0	0	0	108.4	Y58 S66	Y58-L64 HydrophobicContact CE1-CD1 4.11Å; Y58-L64 HydrophobicContact CE2-CD1 4.24Å; L64-S66 PolarHBondContact O-N 3.42Å
65	G	54.1	Low	52.4	Low	15 Å²	15	70.9 Å²	70.9	16%	0.155	37%	0.372	C	S	.	.			trans	-59.2	128	171.7	0	0	0	0	0	109.2	S57 N63	S57-G65 PolarHBondContact O-N 2.94Å; N63-G65 PolarHBondContact O-N 2.82Å
66	S	43.4	Very low	52.2	Low	73 Å²	73	75.3 Å²	75.3	51%	0.51	39%	0.389	S	S	.	.			trans	-61.5	161.7	166.7	72.7	0	0	0	0	108.9	L64 S68 L69	L64-S66 PolarHBondContact O-N 3.42Å; S66-S68 PolarHBondContact O-N 2.99Å; S66-L69 PolarHBondContact O-N 3.44Å
67	R	45.8	Very low	51.8	Low	240 Å²	240	78.3 Å²	78.3	91%	0.906	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-47.1	-18.3	178.7	-71.1	-179.9	178	177.9	-0.8	114.3
68	S	34.5	Very low	51.5	Low	110 Å²	110	79.6 Å²	79.6	77%	0.769	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-80.7	-19	178.1	-50.2	0	0	0	0	115.5	S66	S66-S68 PolarHBondContact O-N 2.99Å
69	L	41.2	Very low	50.8	Low	126 Å²	126	85 Å²	85	66%	0.66	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-118.8	34	179	-76.9	169.4	0	0	0	111.3	S57 S66 P71	S57-L69 PolarHBondContact OG-O 2.9Å; S66-L69 PolarHBondContact O-N 3.44Å; L69-P71 WeakPolarHBondContact O-CD 3.47Å; L69-P71 VanDerWaalsContact O-N 3.12Å
70	F	52.1	Low	50	Low	52 Å²	52	87.1 Å²	87.1	23%	0.228	46%	0.455	C	S	.	.			trans	-70.9	99.7	166	-138.8	-101.2	0	0	0	106.3	P55 S57 E72 C74 R75 S78	P55-F70 HydrophobicContact CB-CE2 4.24Å; P55-F70 HydrophobicContact CB-CZ 3.59Å; P55-F70 HydrophobicContact CG-CE2 4.14Å; P55-F70 HydrophobicContact CG-CZ 3.55Å; S57-F70 WeakPolarHBondContact OG-CD2 3.45Å; F70-E72 PolarHBondContact O-N 2.97Å; F70-C74 HydrophobicContact CD1-CB 3.88Å; F70-C74 HydrophobicContact CE1-CB 3.8Å; F70-C74 VanDerWaalsContact CE1-O 3.24Å; F70-C74 WeakPolarHBondContact CE1-O 3.29Å; F70-C74 HydrophobicContact CZ-CB 4.36Å; F70-R75 VanDerWaalsContact CD1-CA 3.42Å; F70-R75 HydrophobicContact CD1-CB 3.72Å; F70-R75 HydrophobicContact CD1-CG 4.27Å; F70-R75 VanDerWaalsContact CD1-N 3.29Å; F70-R75 VanDerWaalsContact CE1-CA 3.44Å; F70-R75 HydrophobicContact CE1-CB 4.22Å; F70-S78 VanDerWaalsContact CE1-OG 3.31Å; F70-S78 WeakPolarHBondContact CE1-OG 3.46Å; F70-S78 VanDerWaalsContact CZ-OG 3.27Å; F70-S78 WeakPolarHBondContact CZ-OG 3.46Å
71	P	52.8	Low	49.6	Very low	44 Å²	44	90.5 Å²	90.5	29%	0.286	46%	0.46	S	S	.	.			trans	-58.4	139.1	180	-5.3	20.8	0	0	0	106.5	L69 M73 C74 R75	L69-P71 WeakPolarHBondContact O-CD 3.47Å; L69-P71 VanDerWaalsContact O-N 3.12Å; P71-M73 HydrophobicContact CB-CE 4Å; P71-M73 HydrophobicContact CB-CG 4.08Å; P71-M73 CarbonylContact O-C 3.54Å; P71-M73 PolarHBondContact O-N 3.5Å; P71-C74 VanDerWaalsContact CD-SG 3.53Å; P71-C74 WeakPolarHBondContact O-CA 3.09Å; P71-C74 PolarHBondContact O-N 2.86Å; P71-R75 PolarHBondContact O-N 3.24Å
72	E	53.2	Low	48.8	Very low	161 Å²	161	90.8 Å²	90.8	75%	0.752	47%	0.465	S	S	*	.	H	α-helix	trans	-50.8	-33.9	-172.2	-68.6	-178.4	102.5	0	0	111.9	F70 C74 R75 E76	F70-E72 PolarHBondContact O-N 2.97Å; E72-C74 PolarHBondContact O-N 3.36Å; E72-R75 WeakPolarHBondContact O-CA 3.24Å; E72-R75 VanDerWaalsContact O-CB 3.25Å; E72-R75 WeakPolarHBondContact O-CB 3.47Å; E72-R75 PolarHBondContact O-N 2.86Å; E72-E76 PolarHBondContact O-N 2.78Å
73	M	54.4	Low	48.2	Very low	82 Å²	82	97 Å²	97	40%	0.404	49%	0.488	S	S	.	.	H	α-helix	trans	-55.3	-44.5	171.4	79.1	-170.3	74.3	0	0	113.7	H36 P71 R75 L77	H36-M73 PolarHBondContact CE1-SD 3.13Å; H36-M73 PolarHBondContact ND1-SD 3.31Å; H36-M73 VanDerWaalsContact ND1-SD 3.44Å; P71-M73 HydrophobicContact CB-CE 4Å; P71-M73 HydrophobicContact CB-CG 4.08Å; P71-M73 CarbonylContact O-C 3.54Å; P71-M73 PolarHBondContact O-N 3.5Å; M73-R75 VanDerWaalsContact C-N 3.31Å; M73-L77 WeakPolarHBondContact O-CB 3.23Å; M73-L77 WeakPolarHBondContact O-CD1 3.37Å; M73-L77 WeakPolarHBondContact O-CG 3.33Å; M73-L77 PolarHBondContact O-N 2.91Å
74	C	55.9	Low	47.4	Very low	1 Å²	1	98 Å²	98	1%	0.007	49%	0.492	C	S	.	.	H	α-helix	trans	-71	-32	176.2	-55.6	0	0	0	0	110.2	C39 F70 P71 E72 L77 S78	C39-C74 HydrophobicContact CB-CB 3.94Å; C39-C74 WeakPolarHBondContact CB-SG 2.93Å; C39-C74 WeakPolarHBondContact SG-CA 3.43Å; C39-C74 WeakPolarHBondContact SG-CB 3.17Å; C39-C74 CovalentContact SG-SG 2.02Å; C39-C74 PolarHBondContact SG-SG 3.06Å; F70-C74 HydrophobicContact CD1-CB 3.88Å; F70-C74 HydrophobicContact CE1-CB 3.8Å; F70-C74 VanDerWaalsContact CE1-O 3.24Å; F70-C74 WeakPolarHBondContact CE1-O 3.29Å; F70-C74 HydrophobicContact CZ-CB 4.36Å; P71-C74 VanDerWaalsContact CD-SG 3.53Å; P71-C74 WeakPolarHBondContact O-CA 3.09Å; P71-C74 PolarHBondContact O-N 2.86Å; E72-C74 PolarHBondContact O-N 3.36Å; C74-L77 PolarHBondContact O-N 2.89Å; C74-S78 WeakPolarHBondContact O-CB 3.26Å; C74-S78 PolarHBondContact O-N 2.92Å; C74-S78 PolarHBondContact O-OG 3.27Å
75	R	52.3	Low	46.6	Very low	156 Å²	156	97.7 Å²	97.7	59%	0.589	49%	0.494	S	S	*	.	H	α-helix	trans	-63.2	-50.5	178.8	-163.5	172.4	173.7	157	-3.6	111	F70 P71 E72 M73 L77 S78 I79	F70-R75 VanDerWaalsContact CD1-CA 3.42Å; F70-R75 HydrophobicContact CD1-CB 3.72Å; F70-R75 HydrophobicContact CD1-CG 4.27Å; F70-R75 VanDerWaalsContact CD1-N 3.29Å; F70-R75 VanDerWaalsContact CE1-CA 3.44Å; F70-R75 HydrophobicContact CE1-CB 4.22Å; P71-R75 PolarHBondContact O-N 3.24Å; E72-R75 WeakPolarHBondContact O-CA 3.24Å; E72-R75 VanDerWaalsContact O-CB 3.25Å; E72-R75 WeakPolarHBondContact O-CB 3.47Å; E72-R75 PolarHBondContact O-N 2.86Å; M73-R75 VanDerWaalsContact C-N 3.31Å; R75-L77 VanDerWaalsContact C-N 3.35Å; R75-L77 PolarHBondContact O-N 2.88Å; R75-S78 PolarHBondContact O-N 2.91Å; R75-I79 HydrophobicContact CG-CD1 3.54Å; R75-I79 HydrophobicContact CG-CG1 4.28Å; R75-I79 WeakPolarHBondContact O-CB 3.36Å; R75-I79 WeakPolarHBondContact O-CG1 3.3Å; R75-I79 PolarHBondContact O-N 3.44Å
76	E	50.3	Low	45.7	Very low	137 Å²	137	101.8 Å²	101.8	64%	0.64	52%	0.518	S	S	*	.	H	α-helix	trans	-61.4	-44	176.8	-68.5	-177.7	102.5	0	0	111.3	E72 S78 I79 T80	E72-E76 PolarHBondContact O-N 2.78Å; E76-S78 VanDerWaalsContact C-N 3.29Å; E76-S78 PolarHBondContact O-N 2.98Å; E76-I79 PolarHBondContact O-N 3Å; E76-T80 WeakPolarHBondContact O-CB 3.34Å; E76-T80 PolarHBondContact O-N 2.85Å; E76-T80 PolarHBondContact O-OG1 2.72Å
77	L	50.4	Low	45.2	Very low	70 Å²	70	105.5 Å²	105.5	37%	0.366	52%	0.522	S	S	.	.	H	α-helix	trans	-67.1	-27.1	177.6	-68.1	170.3	0	0	0	113.7	I35 H36 M73 C74 R75	I35-L77 HydrophobicContact CD1-CB 3.98Å; I35-L77 HydrophobicContact CD1-CD1 4.44Å; H36-L77 HydrophobicContact CB-CD1 3.99Å; M73-L77 WeakPolarHBondContact O-CB 3.23Å; M73-L77 WeakPolarHBondContact O-CD1 3.37Å; M73-L77 WeakPolarHBondContact O-CG 3.33Å; M73-L77 PolarHBondContact O-N 2.91Å; C74-L77 PolarHBondContact O-N 2.89Å; R75-L77 VanDerWaalsContact C-N 3.35Å; R75-L77 PolarHBondContact O-N 2.88Å
78	S	50.1	Low	44.5	Very low	28 Å²	28	101.2 Å²	101.2	20%	0.196	52%	0.517	C	S	.	.	H	α-helix	trans	-87.8	-32	180	-61.8	0	0	0	0	113.4	P55 F70 C74 R75 E76	P55-S78 WeakPolarHBondContact CB-OG 3.12Å; P55-S78 WeakPolarHBondContact CG-OG 3.2Å; F70-S78 VanDerWaalsContact CE1-OG 3.31Å; F70-S78 WeakPolarHBondContact CE1-OG 3.46Å; F70-S78 VanDerWaalsContact CZ-OG 3.27Å; F70-S78 WeakPolarHBondContact CZ-OG 3.46Å; C74-S78 WeakPolarHBondContact O-CB 3.26Å; C74-S78 PolarHBondContact O-N 2.92Å; C74-S78 PolarHBondContact O-OG 3.27Å; R75-S78 PolarHBondContact O-N 2.91Å; E76-S78 VanDerWaalsContact C-N 3.29Å; E76-S78 PolarHBondContact O-N 2.98Å
79	I	42.7	Very low	44.8	Very low	120 Å²	120	103.2 Å²	103.2	62%	0.615	53%	0.527	S	S	*	.	H	α-helix	trans	-79.5	-25.1	179.9	-69.4	176.9	0	0	0	111	R75 E76	R75-I79 HydrophobicContact CG-CD1 3.54Å; R75-I79 HydrophobicContact CG-CG1 4.28Å; R75-I79 WeakPolarHBondContact O-CB 3.36Å; R75-I79 WeakPolarHBondContact O-CG1 3.3Å; R75-I79 PolarHBondContact O-N 3.44Å; E76-I79 PolarHBondContact O-N 3Å
80	T	40.7	Very low	45	Very low	97 Å²	97	102.1 Å²	102.1	60%	0.595	52%	0.521	S	S	*	.	S	Bend	trans	-87.6	-6.9	-173.7	41.3	0	0	0	0	115.8	E76	E76-T80 WeakPolarHBondContact O-CB 3.34Å; E76-T80 PolarHBondContact O-N 2.85Å; E76-T80 PolarHBondContact O-OG1 2.72Å
81	K	42.8	Very low	44.6	Very low	103 Å²	103	104.7 Å²	104.7	45%	0.448	54%	0.536	S	S	.	.			trans	-148.6	55.2	-161	-71.1	-146.2	159.8	-161.9	0	115.5	W83	K81-W83 VanDerWaalsContact C-N 3.25Å; K81-W83 HydrophobicContact CD-CZ2 4.07Å; K81-W83 HydrophobicContact CG-CZ2 4.18Å; K81-W83 PolarHBondContact O-N 3.29Å
82	T	39.6	Very low	44.2	Very low	110 Å²	110	108.1 Å²	108.1	68%	0.675	55%	0.55	S	S	*	*			trans	-72.3	88	150.8	-52.6	0	0	0	0	107.7
83	W	42.5	Very low	43.6	Very low	133 Å²	133	105 Å²	105	50%	0.504	54%	0.538	S	S	.	.			trans	-91	116.4	170.7	-59.5	76.2	0	0	0	107.8	K81 T85	K81-W83 VanDerWaalsContact C-N 3.25Å; K81-W83 HydrophobicContact CD-CZ2 4.07Å; K81-W83 HydrophobicContact CG-CZ2 4.18Å; K81-W83 PolarHBondContact O-N 3.29Å; W83-T85 VanDerWaalsContact CB-OG1 3.23Å; W83-T85 WeakPolarHBondContact CB-OG1 3.13Å; W83-T85 PolarHBondContact O-N 2.85Å
84	I	39.3	Very low	43	Very low	116 Å²	116	106.4 Å²	106.4	60%	0.595	55%	0.547	S	S	*	.			trans	-70.2	81.3	145.6	-59.2	172.9	0	0	0	104.3	G49 P86	G49-I84 VanDerWaalsContact O-CG2 3.27Å; G49-I84 WeakPolarHBondContact O-CG2 3.47Å; I84-P86 VanDerWaalsContact O-CD 3.24Å; I84-P86 WeakPolarHBondContact O-CD 3.23Å
85	T	40.7	Very low	42.1	Very low	77 Å²	77	113.5 Å²	113.5	47%	0.472	58%	0.583	S	S	.	*			trans	-76.2	115.1	169.6	-40.3	0	0	0	0	106.2	F51 W83 Y87	F51-T85 WeakPolarHBondContact CD2-O 3.26Å; F51-T85 WeakPolarHBondContact CE2-O 3.25Å; W83-T85 VanDerWaalsContact CB-OG1 3.23Å; W83-T85 WeakPolarHBondContact CB-OG1 3.13Å; W83-T85 PolarHBondContact O-N 2.85Å; T85-Y87 PolarHBondContact O-N 3.11Å
86	P	35.2	Very low	41.4	Very low	101 Å²	101	110.4 Å²	110.4	66%	0.656	58%	0.582	S	S	*	*			trans	-58.1	129.9	167.3	24.6	-31	0	0	0	107.9	I84 D88	I84-P86 VanDerWaalsContact O-CD 3.24Å; I84-P86 WeakPolarHBondContact O-CD 3.23Å; P86-D88 PolarHBondContact O-N 2.85Å
87	Y	32.5	Very low	40.7	Very low	151 Å²	151	108.4 Å²	108.4	59%	0.592	58%	0.578	S	S	*	*			trans	-67.5	115.2	170.8	176.4	-107.4	0	0	0	107.7	T85 P89	T85-Y87 PolarHBondContact O-N 3.11Å; Y87-P89 HydrophobicContact CD1-CB 4.44Å; Y87-P89 HydrophobicContact CE1-CB 3.8Å
88	D	31.7	Very low	39.9	Very low	151 Å²	151	111.6 Å²	111.6	81%	0.807	60%	0.595	S	S	*	*			trans	-92.2	115.9	164.7	-153.8	-120	0	0	0	106.6	P86	P86-D88 PolarHBondContact O-N 2.85Å
89	P	40.6	Very low	38.9	Very low	152 Å²	152	119.2 Å²	119.2	99%	0.987	63%	0.632	S	S	*	*			trans	-64.9	0	-172.9	25.9	-33.9	0	0	0	114.8	Y87	Y87-P89 HydrophobicContact CD1-CB 4.44Å; Y87-P89 HydrophobicContact CE1-CB 3.8Å

Retrieved 89 of 89 residues in 25 ms (Link to these results)

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