A0A3Q0KV38_SCHMA Loading...

Smp_204840

AlphaFold DB , UniProt , Accession A0A3Q0KV38, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 95 aa.

						>A0A3Q0KV38_SCHMA|A0A3Q0KV38
MMRYTLSYGHLMLVYLVVSLTLKFFNCQHVCDEIGLLEEGKVVFQDDSRAYVSYQSGSNIHIQSQYYHYSQIIRVDQSSPIVDCKFEKFVPPDVS
					

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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	46.5	Very low	70.4	Confident	242 Å²	242	142.6 Å²	142.6	100%	1.192	70%	0.697	S	S	*	*				0	102.3	0	-160.1	169.2	-167	0	0	107.7	R3	M1-R3 PolarHBondContact O-N 3.2Å
2	M	47.6	Very low	71.8	Confident	163 Å²	163	137.5 Å²	137.5	80%	0.803	67%	0.672	S	S	*	*			trans	-80.3	112.3	-176.6	-132.6	164.1	-176.8	0	0	108.3	Y4	M2-Y4 HydrophobicContact CB-CE2 4.48Å; M2-Y4 PolarHBondContact O-N 3.29Å
3	R	58.1	Low	73.2	Confident	231 Å²	231	135.5 Å²	135.5	87%	0.872	67%	0.665	S	S	*	*			trans	-77	104	172.4	-81.4	-177.6	174	-179	-1.4	107.9	M1 T5	M1-R3 PolarHBondContact O-N 3.2Å; R3-T5 PolarHBondContact O-N 3.35Å; R3-T5 VanDerWaalsContact O-N 3.09Å
4	Y	63.9	Low	74.2	Confident	198 Å²	198	131.3 Å²	131.3	78%	0.776	65%	0.651	S	S	*	*			trans	-71.1	98.2	166.7	-73.1	-85.9	0	0	0	108.5	M2 L6	M2-Y4 HydrophobicContact CB-CE2 4.48Å; M2-Y4 PolarHBondContact O-N 3.29Å; Y4-L6 PolarHBondContact O-N 3.24Å
5	T	67.5	Low	75.1	Confident	130 Å²	130	132.5 Å²	132.5	80%	0.798	65%	0.647	S	S	*	*			trans	-80.2	102.8	164.1	42.9	0	0	0	0	107.8	R3 S7	R3-T5 PolarHBondContact O-N 3.35Å; R3-T5 VanDerWaalsContact O-N 3.09Å; T5-S7 PolarHBondContact O-N 3.43Å
6	L	70.2	Confident	75.9	Confident	99 Å²	99	131.1 Å²	131.1	52%	0.518	64%	0.642	S	S	.	*			trans	-61.5	125.5	165.6	-89.9	91.7	0	0	0	108.1	Y4 H10 L11	Y4-L6 PolarHBondContact O-N 3.24Å; L6-H10 HydrophobicContact CB-CB 4.46Å; L6-H10 HydrophobicContact CD2-CB 3.84Å; L6-H10 HydrophobicContact CG-CB 4.35Å; L6-L11 HydrophobicContact CB-CD2 4.26Å; L6-L11 HydrophobicContact CB-CG 4.23Å; L6-L11 HydrophobicContact CD2-CD2 4.04Å
7	S	83.3	Confident	76.5	Confident	76 Å²	76	128.2 Å²	128.2	53%	0.531	63%	0.634	S	S	.	*			trans	-62.9	149.2	168.7	166.6	0	0	0	0	109.7	T5 G9 H10 L11	T5-S7 PolarHBondContact O-N 3.43Å; S7-G9 PolarHBondContact O-N 2.74Å; S7-G9 VanDerWaalsContact O-N 3.11Å; S7-G9 PolarHBondContact OG-N 2.91Å; S7-H10 WeakPolarHBondContact O-CB 3.48Å; S7-H10 PolarHBondContact O-N 2.69Å; S7-L11 PolarHBondContact O-N 3.16Å
8	Y	83.7	Confident	77	Confident	173 Å²	173	124.9 Å²	124.9	68%	0.678	62%	0.621	S	S	*	*	H	α-helix	trans	-49.4	-38.3	175.9	-175.9	-98	0	0	0	112.4	H10 L11 M12	Y8-H10 VanDerWaalsContact C-N 3.31Å; Y8-H10 PolarHBondContact O-N 3.32Å; Y8-L11 PolarHBondContact O-N 3.1Å; Y8-M12 HydrophobicContact CD1-CG 3.97Å; Y8-M12 HydrophobicContact CE1-CG 3.62Å; Y8-M12 HydrophobicContact CE1-SD 4.08Å; Y8-M12 WeakPolarHBondContact O-CG 3.46Å; Y8-M12 PolarHBondContact O-N 3.05Å
9	G	82.5	Confident	77.2	Confident	43 Å²	43	120.5 Å²	120.5	44%	0.443	60%	0.604	S	S	.	*	H	α-helix	trans	-61.6	-34.6	176.4	0	0	0	0	0	114	S7 L13	S7-G9 PolarHBondContact O-N 2.74Å; S7-G9 VanDerWaalsContact O-N 3.11Å; S7-G9 PolarHBondContact OG-N 2.91Å; G9-L13 PolarHBondContact O-N 2.74Å
10	H	85.2	Confident	77	Confident	116 Å²	116	119.7 Å²	119.7	54%	0.537	60%	0.601	S	S	.	*	H	α-helix	trans	-72.6	-37.6	176.3	-71.1	75.5	0	0	0	111.5	L6 S7 Y8 M12 L13 V14	L6-H10 HydrophobicContact CB-CB 4.46Å; L6-H10 HydrophobicContact CD2-CB 3.84Å; L6-H10 HydrophobicContact CG-CB 4.35Å; S7-H10 WeakPolarHBondContact O-CB 3.48Å; S7-H10 PolarHBondContact O-N 2.69Å; Y8-H10 VanDerWaalsContact C-N 3.31Å; Y8-H10 PolarHBondContact O-N 3.32Å; H10-M12 VanDerWaalsContact C-N 3.34Å; H10-L13 PolarHBondContact O-N 2.74Å; H10-V14 WeakPolarHBondContact O-CG2 3.32Å; H10-V14 PolarHBondContact O-N 3.33Å
11	L	86.3	Confident	76.9	Confident	98 Å²	98	116.6 Å²	116.6	51%	0.513	59%	0.588	S	S	.	*	H	α-helix	trans	-63	-42.6	174.7	-68	173.5	0	0	0	111.2	L6 S7 Y8 L13 V14 Y15	L6-L11 HydrophobicContact CB-CD2 4.26Å; L6-L11 HydrophobicContact CB-CG 4.23Å; L6-L11 HydrophobicContact CD2-CD2 4.04Å; S7-L11 PolarHBondContact O-N 3.16Å; Y8-L11 PolarHBondContact O-N 3.1Å; L11-L13 PolarHBondContact O-N 3.19Å; L11-V14 PolarHBondContact O-N 2.92Å; L11-Y15 WeakPolarHBondContact O-CB 3.24Å; L11-Y15 PolarHBondContact O-N 3.24Å
12	M	87	Confident	78	Confident	81 Å²	81	109.8 Å²	109.8	40%	0.399	56%	0.556	S	S	.	*	H	α-helix	trans	-62.8	-41.6	175.7	-67.7	-58.5	-72.2	0	0	111.9	Y8 H10 Y15 L16	Y8-M12 HydrophobicContact CD1-CG 3.97Å; Y8-M12 HydrophobicContact CE1-CG 3.62Å; Y8-M12 HydrophobicContact CE1-SD 4.08Å; Y8-M12 WeakPolarHBondContact O-CG 3.46Å; Y8-M12 PolarHBondContact O-N 3.05Å; H10-M12 VanDerWaalsContact C-N 3.34Å; M12-Y15 PolarHBondContact O-N 2.94Å; M12-L16 WeakPolarHBondContact O-CG 3.28Å; M12-L16 PolarHBondContact O-N 2.83Å
13	L	89.2	Confident	78.6	Confident	111 Å²	111	106 Å²	106	58%	0.581	54%	0.535	S	S	*	.	H	α-helix	trans	-63.7	-46.4	176.5	-171.4	116.9	0	0	0	111.8	G9 H10 L11 Y15 L16 V17	G9-L13 PolarHBondContact O-N 2.74Å; H10-L13 PolarHBondContact O-N 2.74Å; L11-L13 PolarHBondContact O-N 3.19Å; L13-Y15 VanDerWaalsContact C-N 3.32Å; L13-Y15 PolarHBondContact O-N 3.03Å; L13-L16 PolarHBondContact O-N 3.38Å; L13-V17 WeakPolarHBondContact O-CG2 3.27Å; L13-V17 PolarHBondContact O-N 3.32Å
14	V	87.6	Confident	78.7	Confident	77 Å²	77	100 Å²	100	47%	0.467	52%	0.516	S	S	.	.	H	α-helix	trans	-60.5	-43.6	175.8	172.1	0	0	0	0	110.6	H10 L11 L16 V17 V18	H10-V14 WeakPolarHBondContact O-CG2 3.32Å; H10-V14 PolarHBondContact O-N 3.33Å; L11-V14 PolarHBondContact O-N 2.92Å; V14-L16 PolarHBondContact O-N 3.15Å; V14-V17 PolarHBondContact O-N 2.73Å; V14-V18 HydrophobicContact CG1-CG2 4.24Å; V14-V18 WeakPolarHBondContact O-CB 3.5Å; V14-V18 VanDerWaalsContact O-CG2 3.28Å; V14-V18 WeakPolarHBondContact O-CG2 3.43Å; V14-V18 PolarHBondContact O-N 3.36Å
15	Y	88.5	Confident	78.5	Confident	150 Å²	150	98.7 Å²	98.7	59%	0.588	51%	0.514	S	S	*	.	H	α-helix	trans	-59.7	-45	176.3	174.3	-97.3	0	0	0	112.2	L11 M12 L13 V18 S19	L11-Y15 WeakPolarHBondContact O-CB 3.24Å; L11-Y15 PolarHBondContact O-N 3.24Å; M12-Y15 PolarHBondContact O-N 2.94Å; L13-Y15 VanDerWaalsContact C-N 3.32Å; L13-Y15 PolarHBondContact O-N 3.03Å; Y15-V18 PolarHBondContact O-N 2.83Å; Y15-S19 VanDerWaalsContact O-CB 3.25Å; Y15-S19 WeakPolarHBondContact O-CB 3.49Å; Y15-S19 PolarHBondContact O-N 3.42Å; Y15-S19 PolarHBondContact O-OG 2.79Å
16	L	87	Confident	78.2	Confident	110 Å²	110	96.4 Å²	96.4	58%	0.576	50%	0.497	S	S	*	.	H	α-helix	trans	-63.4	-43.9	177.4	-73.6	172.5	0	0	0	111.7	M12 L13 V14 S19 L20	M12-L16 WeakPolarHBondContact O-CG 3.28Å; M12-L16 PolarHBondContact O-N 2.83Å; L13-L16 PolarHBondContact O-N 3.38Å; V14-L16 PolarHBondContact O-N 3.15Å; L16-S19 PolarHBondContact O-N 3.26Å; L16-L20 WeakPolarHBondContact O-CB 3.34Å; L16-L20 PolarHBondContact O-N 2.79Å
17	V	87.1	Confident	77.6	Confident	82 Å²	82	94.5 Å²	94.5	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-62.7	-47	177.6	172.2	0	0	0	0	110.9	L13 V14 L20 T21	L13-V17 WeakPolarHBondContact O-CG2 3.27Å; L13-V17 PolarHBondContact O-N 3.32Å; V14-V17 PolarHBondContact O-N 2.73Å; V17-L20 PolarHBondContact O-N 2.93Å; V17-T21 WeakPolarHBondContact O-CG2 3.21Å; V17-T21 PolarHBondContact O-N 2.97Å; V17-T21 PolarHBondContact O-OG1 3.49Å; V17-T21 VanDerWaalsContact O-OG1 3.12Å
18	V	84.6	Confident	76.4	Confident	68 Å²	68	96.3 Å²	96.3	41%	0.412	49%	0.492	S	S	.	.	H	α-helix	trans	-64.9	-41	178.3	171.9	0	0	0	0	111.5	V14 Y15 T21 L22	V14-V18 HydrophobicContact CG1-CG2 4.24Å; V14-V18 WeakPolarHBondContact O-CB 3.5Å; V14-V18 VanDerWaalsContact O-CG2 3.28Å; V14-V18 WeakPolarHBondContact O-CG2 3.43Å; V14-V18 PolarHBondContact O-N 3.36Å; Y15-V18 PolarHBondContact O-N 2.83Å; V18-T21 WeakPolarHBondContact CA-OG1 3.42Å; V18-T21 PolarHBondContact O-N 2.82Å; V18-T21 PolarHBondContact O-OG1 2.76Å; V18-L22 HydrophobicContact CG1-CD1 3.81Å; V18-L22 HydrophobicContact CG1-CG 4.32Å; V18-L22 VanDerWaalsContact O-CB 3.28Å; V18-L22 WeakPolarHBondContact O-CB 2.76Å; V18-L22 VanDerWaalsContact O-CG 3.28Å; V18-L22 WeakPolarHBondContact O-CG 3.42Å; V18-L22 PolarHBondContact O-N 3.23Å
19	S	80.1	Confident	75.3	Confident	42 Å²	42	91.9 Å²	91.9	29%	0.294	48%	0.477	S	S	.	.	H	α-helix	trans	-66.3	-40.9	178.4	-59	0	0	0	0	111.4	Y15 L16 L22 K23	Y15-S19 VanDerWaalsContact O-CB 3.25Å; Y15-S19 WeakPolarHBondContact O-CB 3.49Å; Y15-S19 PolarHBondContact O-N 3.42Å; Y15-S19 PolarHBondContact O-OG 2.79Å; L16-S19 PolarHBondContact O-N 3.26Å; S19-L22 PolarHBondContact O-N 2.97Å; S19-K23 PolarHBondContact O-N 3.41Å
20	L	74.7	Confident	74.2	Confident	103 Å²	103	90.4 Å²	90.4	54%	0.539	46%	0.459	S	S	.	.	H	α-helix	trans	-65.5	-44.5	176.7	-169.1	74.5	0	0	0	111.1	L16 V17 K23 F24	L16-L20 WeakPolarHBondContact O-CB 3.34Å; L16-L20 PolarHBondContact O-N 2.79Å; V17-L20 PolarHBondContact O-N 2.93Å; L20-K23 PolarHBondContact O-N 3.21Å; L20-F24 HydrophobicContact CD1-CE2 4.19Å; L20-F24 HydrophobicContact CD1-CZ 4.39Å; L20-F24 HydrophobicContact CD2-CE2 4.14Å; L20-F24 HydrophobicContact CG-CD2 4.38Å; L20-F24 HydrophobicContact CG-CE2 3.65Å; L20-F24 HydrophobicContact CG-CZ 4.32Å; L20-F24 WeakPolarHBondContact O-CD2 3.4Å; L20-F24 PolarHBondContact O-N 3.13Å
21	T	73.6	Confident	73	Confident	55 Å²	55	85.7 Å²	85.7	34%	0.337	44%	0.439	S	S	.	.	H	α-helix	trans	-67.8	-39	176.8	57	0	0	0	0	112.2	V17 V18 K23 F24 F25	V17-T21 WeakPolarHBondContact O-CG2 3.21Å; V17-T21 PolarHBondContact O-N 2.97Å; V17-T21 PolarHBondContact O-OG1 3.49Å; V17-T21 VanDerWaalsContact O-OG1 3.12Å; V18-T21 WeakPolarHBondContact CA-OG1 3.42Å; V18-T21 PolarHBondContact O-N 2.82Å; V18-T21 PolarHBondContact O-OG1 2.76Å; T21-K23 VanDerWaalsContact C-N 3.29Å; T21-K23 PolarHBondContact O-N 2.04Å; T21-F24 CarbonylContact O-C 3.59Å; T21-F24 WeakPolarHBondContact O-CA 3.05Å; T21-F24 WeakPolarHBondContact O-CB 3.43Å; T21-F24 PolarHBondContact O-N 3.32Å; T21-F25 WeakPolarHBondContact O-CD2 3.44Å; T21-F25 PolarHBondContact O-N 2.87Å
22	L	69.7	Low	71.9	Confident	99 Å²	99	85.3 Å²	85.3	52%	0.518	44%	0.438	S	S	.	.	H	α-helix	trans	-60.3	-38.9	173.8	-81.6	169	0	0	0	112	V18 S19 F24 F25 N26	V18-L22 HydrophobicContact CG1-CD1 3.81Å; V18-L22 HydrophobicContact CG1-CG 4.32Å; V18-L22 VanDerWaalsContact O-CB 3.28Å; V18-L22 WeakPolarHBondContact O-CB 2.76Å; V18-L22 VanDerWaalsContact O-CG 3.28Å; V18-L22 WeakPolarHBondContact O-CG 3.42Å; V18-L22 PolarHBondContact O-N 3.23Å; S19-L22 PolarHBondContact O-N 2.97Å; L22-F24 PolarHBondContact O-N 2.69Å; L22-F25 PolarHBondContact O-N 3.27Å; L22-N26 WeakPolarHBondContact O-CB 3.49Å; L22-N26 PolarHBondContact O-N 3.08Å
23	K	61.7	Low	70.7	Confident	84 Å²	84	83.6 Å²	83.6	37%	0.365	43%	0.429	S	S	.	.	H	α-helix	trans	-60	-33.6	174	-170	176.7	177.4	178.9	0	111.9	S19 L20 T21 E33	S19-K23 PolarHBondContact O-N 3.41Å; L20-K23 PolarHBondContact O-N 3.21Å; T21-K23 VanDerWaalsContact C-N 3.29Å; T21-K23 PolarHBondContact O-N 2.04Å; K23-E33 IonicContact NZ-OE2 3.96Å
24	F	58.9	Low	69.3	Low	106 Å²	106	78.8 Å²	78.8	47%	0.465	40%	0.404	S	S	.	.	H	α-helix	trans	-79.7	-35.4	176.8	-63.1	-54.8	0	0	0	113.9	L20 T21 L22 I62	L20-F24 HydrophobicContact CD1-CE2 4.19Å; L20-F24 HydrophobicContact CD1-CZ 4.39Å; L20-F24 HydrophobicContact CD2-CE2 4.14Å; L20-F24 HydrophobicContact CG-CD2 4.38Å; L20-F24 HydrophobicContact CG-CE2 3.65Å; L20-F24 HydrophobicContact CG-CZ 4.32Å; L20-F24 WeakPolarHBondContact O-CD2 3.4Å; L20-F24 PolarHBondContact O-N 3.13Å; T21-F24 CarbonylContact O-C 3.59Å; T21-F24 WeakPolarHBondContact O-CA 3.05Å; T21-F24 WeakPolarHBondContact O-CB 3.43Å; T21-F24 PolarHBondContact O-N 3.32Å; L22-F24 PolarHBondContact O-N 2.69Å; F24-I62 HydrophobicContact CD1-CD1 3.31Å; F24-I62 HydrophobicContact CD1-CG1 3.81Å; F24-I62 HydrophobicContact CE1-CD1 3.34Å; F24-I62 HydrophobicContact CE1-CG1 3.46Å; F24-I62 VanDerWaalsContact CE1-CG1 3.46Å; F24-I62 HydrophobicContact CZ-CG1 4.49Å
25	F	60.1	Low	68	Low	169 Å²	169	78 Å²	78	74%	0.741	41%	0.411	S	S	*	.	H	α-helix	trans	-88.2	-23.5	-178.2	-74.1	-67	0	0	0	113.9	T21 L22 C27	T21-F25 WeakPolarHBondContact O-CD2 3.44Å; T21-F25 PolarHBondContact O-N 2.87Å; L22-F25 PolarHBondContact O-N 3.27Å; F25-C27 PolarHBondContact O-N 2.78Å
26	N	60.3	Low	66.6	Low	82 Å²	82	77.8 Å²	77.8	44%	0.439	42%	0.419	S	S	.	.			trans	-85.2	86.6	-178.6	-158.2	-5.8	0	0	0	109.5	L22 Q28 H29 V30	L22-N26 WeakPolarHBondContact O-CB 3.49Å; L22-N26 PolarHBondContact O-N 3.08Å; N26-Q28 PolarHBondContact O-N 3.25Å; N26-Q28 WeakPolarHBondContact OD1-CB 3.04Å; N26-Q28 PolarHBondContact OD1-N 2.85Å; N26-H29 HydrophobicContact CB-CB 4.41Å; N26-H29 PolarHBondContact O-N 3.14Å; N26-V30 PolarHBondContact O-N 3.34Å
27	C	58.3	Low	65.4	Low	59 Å²	59	75.3 Å²	75.3	40%	0.399	41%	0.406	S	S	.	.	H	α-helix	trans	-43.6	-34.1	169.4	-69.2	0	0	0	0	112.2	F25 V30 C31 F86	F25-C27 PolarHBondContact O-N 2.78Å; C27-V30 PolarHBondContact O-N 3.42Å; C27-C31 WeakPolarHBondContact O-CB 3.32Å; C27-C31 PolarHBondContact O-N 3.42Å; C27-C31 PolarHBondContact O-SG 2.93Å; C27-F86 HydrophobicContact CB-CD2 4.37Å; C27-F86 HydrophobicContact CB-CE2 3.45Å; C27-F86 VanDerWaalsContact CB-CE2 3.45Å; C27-F86 HydrophobicContact CB-CZ 3.95Å; C27-F86 WeakPolarHBondContact SG-CE2 3.33Å; C27-F86 VanDerWaalsContact SG-CZ 3.6Å
28	Q	58.9	Low	63.9	Low	114 Å²	114	80.6 Å²	80.6	53%	0.533	43%	0.425	S	S	.	.	H	α-helix	trans	-62.8	-44.2	177.7	-163.9	64.9	41.4	0	0	112.8	N26 V30 C31 D32	N26-Q28 PolarHBondContact O-N 3.25Å; N26-Q28 WeakPolarHBondContact OD1-CB 3.04Å; N26-Q28 PolarHBondContact OD1-N 2.85Å; Q28-V30 VanDerWaalsContact C-N 3.29Å; Q28-V30 PolarHBondContact O-N 3.39Å; Q28-C31 CarbonylContact O-C 3.59Å; Q28-C31 WeakPolarHBondContact O-CB 3.4Å; Q28-C31 PolarHBondContact O-N 2.91Å; Q28-C31 VanDerWaalsContact O-N 3.14Å; Q28-D32 PolarHBondContact NE2-OD1 3.28Å; Q28-D32 PolarHBondContact O-N 3.34Å
29	H	60.8	Low	62.7	Low	80 Å²	80	85.9 Å²	85.9	37%	0.37	45%	0.446	S	S	.	.	H	α-helix	trans	-63.6	-39.6	178	-178.9	-64.7	0	0	0	110.9	N26 C31 D32 E33	N26-H29 HydrophobicContact CB-CB 4.41Å; N26-H29 PolarHBondContact O-N 3.14Å; H29-C31 VanDerWaalsContact C-N 3.33Å; H29-D32 PolarHBondContact O-N 3.05Å; H29-E33 IonicContact CE1-OE2 3.52Å; H29-E33 IonicContact ND1-OE2 3.7Å; H29-E33 WeakPolarHBondContact O-CB 3.47Å; H29-E33 PolarHBondContact O-N 3.22Å
30	V	58.4	Low	62	Low	13 Å²	13	85.1 Å²	85.1	8%	0.079	45%	0.445	C	S	.	.	H	α-helix	trans	-67.1	-37.9	176.1	-179	0	0	0	0	110.6	N26 C27 Q28 E33 I34 Y69 F86	N26-V30 PolarHBondContact O-N 3.34Å; C27-V30 PolarHBondContact O-N 3.42Å; Q28-V30 VanDerWaalsContact C-N 3.29Å; Q28-V30 PolarHBondContact O-N 3.39Å; V30-E33 PolarHBondContact O-N 3.04Å; V30-I34 HydrophobicContact CG1-CD1 3.78Å; V30-I34 HydrophobicContact CG1-CG1 4.4Å; V30-I34 VanDerWaalsContact O-CB 3.29Å; V30-I34 WeakPolarHBondContact O-CB 3.16Å; V30-I34 WeakPolarHBondContact O-CD1 3.3Å; V30-I34 WeakPolarHBondContact O-CG1 3.29Å; V30-I34 PolarHBondContact O-N 3.29Å; V30-Y69 HydrophobicContact CG1-CD1 4Å; V30-Y69 HydrophobicContact CG1-CE1 3.47Å; V30-Y69 VanDerWaalsContact CG1-CE1 3.47Å; V30-F86 HydrophobicContact CB-CZ 4.43Å; V30-F86 HydrophobicContact CG1-CZ 4.42Å
31	C	59.5	Low	61.6	Low	16 Å²	16	87.8 Å²	87.8	11%	0.108	45%	0.452	C	S	.	.	H	α-helix	trans	-66.5	-37.9	173.4	-73.1	0	0	0	0	113.5	C27 Q28 H29 I34 G35 C84	C27-C31 WeakPolarHBondContact O-CB 3.32Å; C27-C31 PolarHBondContact O-N 3.42Å; C27-C31 PolarHBondContact O-SG 2.93Å; Q28-C31 CarbonylContact O-C 3.59Å; Q28-C31 WeakPolarHBondContact O-CB 3.4Å; Q28-C31 PolarHBondContact O-N 2.91Å; Q28-C31 VanDerWaalsContact O-N 3.14Å; H29-C31 VanDerWaalsContact C-N 3.33Å; C31-I34 CarbonylContact O-C 3.57Å; C31-I34 PolarHBondContact O-N 3.31Å; C31-G35 PolarHBondContact O-N 3.15Å; C31-C84 HydrophobicContact CB-CB 4.27Å; C31-C84 WeakPolarHBondContact CB-SG 3.12Å; C31-C84 WeakPolarHBondContact SG-CB 3.09Å; C31-C84 CovalentContact SG-SG 2.04Å; C31-C84 PolarHBondContact SG-SG 3Å
32	D	63.5	Low	61.4	Low	90 Å²	90	88.6 Å²	88.6	48%	0.481	46%	0.457	S	S	.	.	H	α-helix	trans	-67.8	-40.5	176	-61.8	-18.1	0	0	0	109.7	Q28 H29 G35 L36	Q28-D32 PolarHBondContact NE2-OD1 3.28Å; Q28-D32 PolarHBondContact O-N 3.34Å; H29-D32 PolarHBondContact O-N 3.05Å; D32-G35 PolarHBondContact O-N 2.74Å; D32-L36 VanDerWaalsContact O-CG 3.27Å; D32-L36 WeakPolarHBondContact O-CG 3.11Å; D32-L36 PolarHBondContact O-N 2.99Å; D32-L36 VanDerWaalsContact O-N 3.15Å
33	E	61.9	Low	61.5	Low	46 Å²	46	87.3 Å²	87.3	22%	0.215	45%	0.453	C	S	.	.	H	α-helix	trans	-66.2	-36	173.6	-165	173.3	163.5	0	0	111.9	K23 H29 V30 L36 L37 S58	K23-E33 IonicContact NZ-OE2 3.96Å; H29-E33 IonicContact CE1-OE2 3.52Å; H29-E33 IonicContact ND1-OE2 3.7Å; H29-E33 WeakPolarHBondContact O-CB 3.47Å; H29-E33 PolarHBondContact O-N 3.22Å; V30-E33 PolarHBondContact O-N 3.04Å; E33-L36 PolarHBondContact O-N 3.49Å; E33-L37 PolarHBondContact O-N 2.8Å; E33-S58 PolarHBondContact OE1-OG 3.13Å
34	I	60.1	Low	61.8	Low	10 Å²	10	88.7 Å²	88.7	5%	0.051	46%	0.459	C	S	.	.	H	α-helix	trans	-69.2	-39.4	172.1	-75.3	167.7	0	0	0	112.1	V30 C31 L36 L37 Y54 Y69	V30-I34 HydrophobicContact CG1-CD1 3.78Å; V30-I34 HydrophobicContact CG1-CG1 4.4Å; V30-I34 VanDerWaalsContact O-CB 3.29Å; V30-I34 WeakPolarHBondContact O-CB 3.16Å; V30-I34 WeakPolarHBondContact O-CD1 3.3Å; V30-I34 WeakPolarHBondContact O-CG1 3.29Å; V30-I34 PolarHBondContact O-N 3.29Å; C31-I34 CarbonylContact O-C 3.57Å; C31-I34 PolarHBondContact O-N 3.31Å; I34-L36 PolarHBondContact O-N 3.03Å; I34-L37 HydrophobicContact CG1-CD1 4.31Å; I34-L37 WeakPolarHBondContact O-CB 3.21Å; I34-L37 PolarHBondContact O-N 3.3Å; I34-Y54 HydrophobicContact CB-CG 4.45Å; I34-Y54 HydrophobicContact CG1-CG 4.3Å; I34-Y54 HydrophobicContact CG2-CD1 3.85Å; I34-Y54 HydrophobicContact CG2-CD2 3.31Å; I34-Y54 HydrophobicContact CG2-CE1 3.82Å; I34-Y54 HydrophobicContact CG2-CE2 3.3Å; I34-Y54 HydrophobicContact CG2-CG 3.56Å; I34-Y69 HydrophobicContact CD1-CD1 3.66Å; I34-Y69 HydrophobicContact CD1-CE1 4.42Å; I34-Y69 HydrophobicContact CD1-CG 3.8Å
35	G	59.5	Low	62.6	Low	61 Å²	61	89.7 Å²	89.7	63%	0.629	47%	0.465	S	S	*	.	H	α-helix	trans	-65	-20.5	174.7	0	0	0	0	0	112.9	C31 D32	C31-G35 PolarHBondContact O-N 3.15Å; D32-G35 PolarHBondContact O-N 2.74Å
36	L	59.7	Low	63.5	Low	144 Å²	144	84.2 Å²	84.2	75%	0.754	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-11.8	172.7	-66.3	169.1	0	0	0	113.5	D32 E33 I34 E38	D32-L36 VanDerWaalsContact O-CG 3.27Å; D32-L36 WeakPolarHBondContact O-CG 3.11Å; D32-L36 PolarHBondContact O-N 2.99Å; D32-L36 VanDerWaalsContact O-N 3.15Å; E33-L36 PolarHBondContact O-N 3.49Å; I34-L36 PolarHBondContact O-N 3.03Å; L36-E38 PolarHBondContact O-N 2.88Å
37	L	61.4	Low	64.3	Low	58 Å²	58	88.4 Å²	88.4	30%	0.304	47%	0.466	S	S	.	.			trans	-77.5	111	175.3	-85.1	153.7	0	0	0	108.9	E33 I34 E39 Y54	E33-L37 PolarHBondContact O-N 2.8Å; I34-L37 HydrophobicContact CG1-CD1 4.31Å; I34-L37 WeakPolarHBondContact O-CB 3.21Å; I34-L37 PolarHBondContact O-N 3.3Å; L37-E39 PolarHBondContact O-N 3.3Å; L37-Y54 HydrophobicContact CB-CD1 3.8Å; L37-Y54 HydrophobicContact CB-CE1 4.1Å; L37-Y54 HydrophobicContact CD1-CD1 4.41Å
38	E	56.8	Low	65.2	Low	193 Å²	193	87.9 Å²	87.9	90%	0.902	46%	0.463	S	S	*	.	S	Bend	trans	-66.5	-17.2	-173.1	-67.4	-175.8	155	0	0	114.2	L36	L36-E38 PolarHBondContact O-N 2.88Å
39	E	59.9	Low	65.7	Low	179 Å²	179	87.8 Å²	87.8	84%	0.836	46%	0.458	S	S	*	.			trans	-138.2	86.9	-177.2	-68.9	-173.1	171.3	0	0	112.7	L37	L37-E39 PolarHBondContact O-N 3.3Å
40	G	63.8	Low	66.1	Low	27 Å²	27	84.3 Å²	84.3	28%	0.278	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-78.1	141	159.6	0	0	0	0	0	110.8	V52 S53 Y54	G40-V52 VanDerWaalsContact C-CG1 3.46Å; G40-V52 VanDerWaalsContact CA-CG1 3.49Å; G40-S53 CarbonylContact C-O 3.56Å; G40-S53 WeakPolarHBondContact CA-O 3.48Å; G40-Y54 VanDerWaalsContact CA-CE1 3.47Å
41	K	66.5	Low	66.5	Low	158 Å²	158	86.7 Å²	86.7	69%	0.687	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.4	176	-176	178.1	-179.9	179.8	0	110.2	V43 S53	K41-V43 PolarHBondContact O-N 3.33Å; K41-S53 PolarHBondContact N-O 3.02Å; K41-S53 PolarHBondContact O-N 3.4Å; K41-S53 PolarHBondContact O-OG 3.33Å; K41-S53 VanDerWaalsContact O-OG 3.08Å
42	V	70.6	Confident	66.8	Low	72 Å²	72	86.3 Å²	86.3	44%	0.436	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	121.7	169.8	-176.7	0	0	0	0	109.1	Q45 Y51 V52	V42-Q45 HydrophobicContact CG1-CB 4.09Å; V42-Y51 WeakPolarHBondContact CA-O 3.4Å; V42-V52 HydrophobicContact CG2-CG2 4.21Å
43	V	72	Confident	67	Low	73 Å²	73	83 Å²	83	44%	0.442	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-37.4	178.8	-177.9	0	0	0	0	110.9	K41 Y51 S53 F89	K41-V43 PolarHBondContact O-N 3.33Å; V43-Y51 PolarHBondContact N-O 2.92Å; V43-S53 VanDerWaalsContact CG2-CB 3.41Å; V43-S53 WeakPolarHBondContact CG2-OG 3.28Å; V43-F89 HydrophobicContact CG1-CE2 4.02Å; V43-F89 HydrophobicContact CG1-CZ 4.07Å
44	F	67.8	Low	67.1	Low	112 Å²	112	82.3 Å²	82.3	49%	0.491	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	142.9	179	179	-95.9	0	0	0	109.2	D46 Y51	F44-D46 HydrophobicContact CE1-CB 3.96Å; F44-D46 HydrophobicContact CZ-CB 4.26Å; F44-Y51 HydrophobicContact CB-CD2 4.31Å; F44-Y51 HydrophobicContact CB-CG 4.47Å; F44-Y51 AromaticContact CD1-CD2 3.59Å; F44-Y51 HydrophobicContact CD1-CD2 3.59Å; F44-Y51 AromaticContact CD1-CE2 3.87Å; F44-Y51 HydrophobicContact CD1-CE2 3.87Å; F44-Y51 HydrophobicContact CD1-CG 4.48Å; F44-Y51 HydrophobicContact CE1-CD2 4.46Å; F44-Y51 HydrophobicContact CE1-CE2 4.35Å; F44-Y51 HydrophobicContact CG-CD2 4.43Å; F44-Y51 PolarHBondContact N-O 3.42Å; F44-Y51 PolarHBondContact O-N 3.18Å
45	Q	75.2	Confident	67	Low	127 Å²	127	90.9 Å²	90.9	59%	0.593	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.6	133.4	174.9	-176.3	175.9	6.4	0	0	109	V42 R49 A50	V42-Q45 HydrophobicContact CG1-CB 4.09Å; Q45-R49 CarbonylContact C-O 3.56Å; Q45-R49 WeakPolarHBondContact CA-O 3.26Å; Q45-A50 HydrophobicContact CB-CB 4.47Å; Q45-A50 HydrophobicContact CG-CB 4.18Å
46	D	77.8	Confident	66.9	Low	55 Å²	55	89 Å²	89	29%	0.294	45%	0.446	S	S	.	.			trans	-117.6	-179	167.8	68.5	50	0	0	0	110.5	F44 S48 R49	F44-D46 HydrophobicContact CE1-CB 3.96Å; F44-D46 HydrophobicContact CZ-CB 4.26Å; D46-S48 PolarHBondContact O-N 3.17Å; D46-S48 VanDerWaalsContact OD1-CA 3.32Å; D46-S48 WeakPolarHBondContact OD1-CA 3.25Å; D46-S48 PolarHBondContact OD1-N 3.02Å; D46-S48 PolarHBondContact OD1-OG 3.07Å; D46-R49 PolarHBondContact N-O 3.37Å; D46-R49 PolarHBondContact OD1-N 3.31Å
47	D	77.7	Confident	66.4	Low	169 Å²	169	85.1 Å²	85.1	90%	0.904	44%	0.44	S	S	*	.	S	Bend	trans	-60.6	-16.1	-177.7	-65	-24.2	0	0	0	114	V75	D47-V75 VanDerWaalsContact O-CG2 3.28Å; D47-V75 WeakPolarHBondContact O-CG2 3.45Å
48	S	77.6	Confident	65.9	Low	49 Å²	49	85.5 Å²	85.5	34%	0.343	45%	0.447	S	S	.	.	S	Bend	trans	-123.8	-19.3	-173.9	70.3	0	0	0	0	114.4	D46 R74 V75	D46-S48 PolarHBondContact O-N 3.17Å; D46-S48 VanDerWaalsContact OD1-CA 3.32Å; D46-S48 WeakPolarHBondContact OD1-CA 3.25Å; D46-S48 PolarHBondContact OD1-N 3.02Å; D46-S48 PolarHBondContact OD1-OG 3.07Å; S48-R74 WeakPolarHBondContact O-CA 3.34Å; S48-V75 PolarHBondContact O-N 2.92Å; S48-V75 VanDerWaalsContact O-N 3.1Å
49	R	69.8	Low	65.4	Low	111 Å²	111	77.1 Å²	77.1	42%	0.419	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	140.9	-170.2	-64.5	173.1	-168.7	-150	0.4	112.3	Q45 D46 Y51 I72 I73	Q45-R49 CarbonylContact C-O 3.56Å; Q45-R49 WeakPolarHBondContact CA-O 3.26Å; D46-R49 PolarHBondContact N-O 3.37Å; D46-R49 PolarHBondContact OD1-N 3.31Å; R49-Y51 HydrophobicContact CB-CE2 4.27Å; R49-I72 HydrophobicContact CB-CG2 4.37Å; R49-I72 HydrophobicContact CG-CG2 4.13Å; R49-I73 CarbonylContact C-O 3.54Å; R49-I73 VanDerWaalsContact CA-O 3.24Å; R49-I73 WeakPolarHBondContact CA-O 3.28Å
50	A	68	Low	64.6	Low	7 Å²	7	75.2 Å²	75.2	6%	0.058	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.6	161.2	0	0	0	0	0	110	Q45 I72 I73	Q45-A50 HydrophobicContact CB-CB 4.47Å; Q45-A50 HydrophobicContact CG-CB 4.18Å; A50-I72 WeakPolarHBondContact O-CA 3.44Å; A50-I73 HydrophobicContact CB-CB 4.32Å; A50-I73 PolarHBondContact N-O 3.12Å; A50-I73 PolarHBondContact O-N 3.02Å
51	Y	67.7	Low	63.8	Low	63 Å²	63	82.9 Å²	82.9	25%	0.247	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	110	171.9	-72	-105.4	0	0	0	108	V42 V43 F44 R49 Q71 I72	V42-Y51 WeakPolarHBondContact CA-O 3.4Å; V43-Y51 PolarHBondContact N-O 2.92Å; F44-Y51 HydrophobicContact CB-CD2 4.31Å; F44-Y51 HydrophobicContact CB-CG 4.47Å; F44-Y51 AromaticContact CD1-CD2 3.59Å; F44-Y51 HydrophobicContact CD1-CD2 3.59Å; F44-Y51 AromaticContact CD1-CE2 3.87Å; F44-Y51 HydrophobicContact CD1-CE2 3.87Å; F44-Y51 HydrophobicContact CD1-CG 4.48Å; F44-Y51 HydrophobicContact CE1-CD2 4.46Å; F44-Y51 HydrophobicContact CE1-CE2 4.35Å; F44-Y51 HydrophobicContact CG-CD2 4.43Å; F44-Y51 PolarHBondContact N-O 3.42Å; F44-Y51 PolarHBondContact O-N 3.18Å; R49-Y51 HydrophobicContact CB-CE2 4.27Å; Y51-Q71 WeakPolarHBondContact CA-O 3.43Å; Y51-I72 HydrophobicContact CD1-CG1 4.24Å; Y51-I72 HydrophobicContact CE1-CD1 4.16Å; Y51-I72 HydrophobicContact CE1-CG1 3.96Å
52	V	66.5	Low	62.8	Low	8 Å²	8	78 Å²	78	5%	0.048	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.7	-178.6	-172.3	0	0	0	0	109.3	G40 V42 Y54 S70 Q71 I73	G40-V52 VanDerWaalsContact C-CG1 3.46Å; G40-V52 VanDerWaalsContact CA-CG1 3.49Å; V42-V52 HydrophobicContact CG2-CG2 4.21Å; V52-Y54 HydrophobicContact CB-CE2 4.13Å; V52-Y54 HydrophobicContact CG1-CD2 4.27Å; V52-Y54 HydrophobicContact CG1-CE2 3.74Å; V52-S70 CarbonylContact O-C 3.58Å; V52-S70 VanDerWaalsContact O-CA 3.32Å; V52-S70 WeakPolarHBondContact O-CA 3.28Å; V52-Q71 HydrophobicContact CB-CB 4.21Å; V52-Q71 PolarHBondContact N-O 2.9Å; V52-Q71 PolarHBondContact O-N 3.27Å; V52-I73 HydrophobicContact CG2-CD1 3.58Å; V52-I73 HydrophobicContact CG2-CG1 4.36Å
53	S	67	Low	61.5	Low	22 Å²	22	80.9 Å²	80.9	15%	0.154	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.4	171.5	68.4	0	0	0	0	111.2	G40 K41 V43 Y69	G40-S53 CarbonylContact C-O 3.56Å; G40-S53 WeakPolarHBondContact CA-O 3.48Å; K41-S53 PolarHBondContact N-O 3.02Å; K41-S53 PolarHBondContact O-N 3.4Å; K41-S53 PolarHBondContact O-OG 3.33Å; K41-S53 VanDerWaalsContact O-OG 3.08Å; V43-S53 VanDerWaalsContact CG2-CB 3.41Å; V43-S53 WeakPolarHBondContact CG2-OG 3.28Å; S53-Y69 VanDerWaalsContact CA-O 3.3Å; S53-Y69 WeakPolarHBondContact CA-O 3.35Å
54	Y	63.4	Low	60.2	Low	30 Å²	30	80 Å²	80	12%	0.118	42%	0.418	C	S	.	.			trans	-104.9	120.1	173.1	-68.9	-91	0	0	0	110	I34 L37 G40 V52 S56 Y69 Q71	I34-Y54 HydrophobicContact CB-CG 4.45Å; I34-Y54 HydrophobicContact CG1-CG 4.3Å; I34-Y54 HydrophobicContact CG2-CD1 3.85Å; I34-Y54 HydrophobicContact CG2-CD2 3.31Å; I34-Y54 HydrophobicContact CG2-CE1 3.82Å; I34-Y54 HydrophobicContact CG2-CE2 3.3Å; I34-Y54 HydrophobicContact CG2-CG 3.56Å; L37-Y54 HydrophobicContact CB-CD1 3.8Å; L37-Y54 HydrophobicContact CB-CE1 4.1Å; L37-Y54 HydrophobicContact CD1-CD1 4.41Å; G40-Y54 VanDerWaalsContact CA-CE1 3.47Å; V52-Y54 HydrophobicContact CB-CE2 4.13Å; V52-Y54 HydrophobicContact CG1-CD2 4.27Å; V52-Y54 HydrophobicContact CG1-CE2 3.74Å; Y54-S56 PolarHBondContact O-N 3.47Å; Y54-Y69 PolarHBondContact N-O 2.95Å; Y54-Q71 HydrophobicContact CE2-CB 3.92Å; Y54-Q71 PolarHBondContact OH-OE1 3.4Å
55	Q	58.7	Low	59	Low	190 Å²	190	82.8 Å²	82.8	89%	0.888	43%	0.432	S	S	*	.			trans	-88.8	83.8	169.8	-164.5	170.9	10.3	0	0	108.1	G57	Q55-G57 PolarHBondContact O-N 2.65Å; Q55-G57 VanDerWaalsContact O-N 3.13Å
56	S	56.2	Low	57.5	Low	23 Å²	23	82.8 Å²	82.8	16%	0.161	43%	0.428	C	S	.	.			trans	-70.3	110.9	173.8	178.5	0	0	0	0	109.6	Y54 S58 N59	Y54-S56 PolarHBondContact O-N 3.47Å; S56-S58 PolarHBondContact O-N 2.91Å; S56-S58 VanDerWaalsContact O-N 3.15Å; S56-S58 WeakPolarHBondContact OG-CB 3.39Å; S56-S58 PolarHBondContact OG-N 3.07Å; S56-N59 PolarHBondContact O-N 2.88Å
57	G	50.2	Low	56	Low	62 Å²	62	85.6 Å²	85.6	64%	0.639	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-9.8	170.5	0	0	0	0	0	113.8	Q55 I60	Q55-G57 PolarHBondContact O-N 2.65Å; Q55-G57 VanDerWaalsContact O-N 3.13Å; G57-I60 WeakPolarHBondContact O-CG1 3.47Å
58	S	50.1	Low	54.8	Low	65 Å²	65	81.5 Å²	81.5	46%	0.455	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-21	178.9	146.7	0	0	0	0	112.7	E33 S56	E33-S58 PolarHBondContact OE1-OG 3.13Å; S56-S58 PolarHBondContact O-N 2.91Å; S56-S58 VanDerWaalsContact O-N 3.15Å; S56-S58 WeakPolarHBondContact OG-CB 3.39Å; S56-S58 PolarHBondContact OG-N 3.07Å
59	N	46.8	Very low	53.8	Low	18 Å²	18	80.4 Å²	80.4	10%	0.096	40%	0.399	C	S	.	.			trans	-104.2	45.6	-178.3	-85.8	-19.5	0	0	0	114	S56 H61 I62 S64 Y69	S56-N59 PolarHBondContact O-N 2.88Å; N59-H61 PolarHBondContact O-N 3.39Å; N59-I62 HydrophobicContact CB-CD1 4.43Å; N59-I62 VanDerWaalsContact OD1-CD1 3.26Å; N59-I62 WeakPolarHBondContact OD1-CD1 3.34Å; N59-S64 PolarHBondContact O-OG 3.32Å; N59-Y69 PolarHBondContact ND2-OH 3.45Å
60	I	43.7	Very low	53	Low	138 Å²	138	76 Å²	76	71%	0.708	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-5.6	175.8	-10.6	175.8	0	0	0	113.3	G57	G57-I60 WeakPolarHBondContact O-CG1 3.47Å
61	H	45.8	Very low	52.7	Low	188 Å²	188	76.5 Å²	76.5	87%	0.87	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.5	-8.7	-173.3	-85.3	4.2	0	0	0	116.5	N59	N59-H61 PolarHBondContact O-N 3.39Å
62	I	46.2	Very low	52.5	Low	57 Å²	57	74.1 Å²	74.1	29%	0.292	38%	0.378	S	S	.	.	S	Bend	trans	-102	79.7	177.4	-46.9	165.8	0	0	0	109.1	F24 N59 S64	F24-I62 HydrophobicContact CD1-CD1 3.31Å; F24-I62 HydrophobicContact CD1-CG1 3.81Å; F24-I62 HydrophobicContact CE1-CD1 3.34Å; F24-I62 HydrophobicContact CE1-CG1 3.46Å; F24-I62 VanDerWaalsContact CE1-CG1 3.46Å; F24-I62 HydrophobicContact CZ-CG1 4.49Å; N59-I62 HydrophobicContact CB-CD1 4.43Å; N59-I62 VanDerWaalsContact OD1-CD1 3.26Å; N59-I62 WeakPolarHBondContact OD1-CD1 3.34Å; I62-S64 WeakPolarHBondContact O-CA 3.22Å; I62-S64 PolarHBondContact O-N 2.89Å
63	Q	42.9	Very low	52.3	Low	131 Å²	131	75.6 Å²	75.6	61%	0.612	39%	0.385	S	S	*	.			trans	33.6	43.5	167.1	-73.4	-172.8	45.8	0	0	115	Q65 Y66	Q63-Q65 PolarHBondContact O-N 2.84Å; Q63-Q65 VanDerWaalsContact O-N 3.07Å; Q63-Y66 HydrophobicContact CB-CD2 4.39Å; Q63-Y66 PolarHBondContact O-N 3.45Å
64	S	45	Very low	52.3	Low	56 Å²	56	79.3 Å²	79.3	39%	0.392	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-5.2	-167.4	49.7	0	0	0	0	111.7	N59 I62 Y66	N59-S64 PolarHBondContact O-OG 3.32Å; I62-S64 WeakPolarHBondContact O-CA 3.22Å; I62-S64 PolarHBondContact O-N 2.89Å; S64-Y66 VanDerWaalsContact C-N 3.31Å
65	Q	43.8	Very low	52.5	Low	169 Å²	169	81.1 Å²	81.1	79%	0.79	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-21.4	166.7	-63.8	-174.3	-31.1	0	0	113	Q63	Q63-Q65 PolarHBondContact O-N 2.84Å; Q63-Q65 VanDerWaalsContact O-N 3.07Å
66	Y	42.9	Very low	53.1	Low	128 Å²	128	76.6 Å²	76.6	50%	0.502	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-17	-175.8	-69.7	-68.6	0	0	0	114.6	Q63 S64	Q63-Y66 HydrophobicContact CB-CD2 4.39Å; Q63-Y66 PolarHBondContact O-N 3.45Å; S64-Y66 VanDerWaalsContact C-N 3.31Å
67	Y	47.2	Very low	53.4	Low	113 Å²	113	78.4 Å²	78.4	44%	0.443	40%	0.397	S	S	.	.			trans	-122.1	101.1	180	-64	-79.3	0	0	0	109.1
68	H	52.1	Low	54.1	Low	84 Å²	84	82.1 Å²	82.1	39%	0.389	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	123.6	163.2	-72.7	-89.1	0	0	0	107	S70 F89	H68-S70 PolarHBondContact O-N 2.84Å; H68-F89 HydrophobicContact CB-CB 3.99Å; H68-F89 WeakPolarHBondContact CD2-CB 3.34Å
69	Y	55.5	Low	54.7	Low	25 Å²	25	83.3 Å²	83.3	10%	0.098	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	99.8	169	-63.5	-80.2	0	0	0	107.5	V30 I34 S53 Y54 N59 F86	V30-Y69 HydrophobicContact CG1-CD1 4Å; V30-Y69 HydrophobicContact CG1-CE1 3.47Å; V30-Y69 VanDerWaalsContact CG1-CE1 3.47Å; I34-Y69 HydrophobicContact CD1-CD1 3.66Å; I34-Y69 HydrophobicContact CD1-CE1 4.42Å; I34-Y69 HydrophobicContact CD1-CG 3.8Å; S53-Y69 VanDerWaalsContact CA-O 3.3Å; S53-Y69 WeakPolarHBondContact CA-O 3.35Å; Y54-Y69 PolarHBondContact N-O 2.95Å; N59-Y69 PolarHBondContact ND2-OH 3.45Å; Y69-F86 HydrophobicContact CD1-CD1 4.39Å; Y69-F86 AromaticContact CD1-CE1 3.95Å; Y69-F86 HydrophobicContact CD1-CE1 3.95Å; Y69-F86 HydrophobicContact CD1-CZ 4.45Å; Y69-F86 HydrophobicContact CE1-CD1 4.2Å; Y69-F86 AromaticContact CE1-CE1 3.53Å; Y69-F86 HydrophobicContact CE1-CE1 3.53Å; Y69-F86 HydrophobicContact CE1-CZ 4.22Å
70	S	54.1	Low	55.3	Low	18 Å²	18	85.4 Å²	85.4	13%	0.126	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.7	173.3	50.9	0	0	0	0	109.7	V52 H68 K85	V52-S70 CarbonylContact O-C 3.58Å; V52-S70 VanDerWaalsContact O-CA 3.32Å; V52-S70 WeakPolarHBondContact O-CA 3.28Å; H68-S70 PolarHBondContact O-N 2.84Å; S70-K85 PolarHBondContact OG-O 3.27Å
71	Q	60.9	Low	56.1	Low	19 Å²	19	83.5 Å²	83.5	9%	0.089	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.4	164.3	179.9	-176	49.1	0	0	107.8	Y51 V52 Y54 I73 V82	Y51-Q71 WeakPolarHBondContact CA-O 3.43Å; V52-Q71 HydrophobicContact CB-CB 4.21Å; V52-Q71 PolarHBondContact N-O 2.9Å; V52-Q71 PolarHBondContact O-N 3.27Å; Y54-Q71 HydrophobicContact CE2-CB 3.92Å; Y54-Q71 PolarHBondContact OH-OE1 3.4Å; Q71-I73 HydrophobicContact CG-CG1 3.95Å; Q71-V82 HydrophobicContact CG-CG1 3.87Å; Q71-V82 HydrophobicContact CG-CG2 4.48Å
72	I	63.2	Low	56.6	Low	13 Å²	13	78.1 Å²	78.1	7%	0.067	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	118.7	169.9	-59.5	172.8	0	0	0	107.4	R49 A50 Y51 D83	R49-I72 HydrophobicContact CB-CG2 4.37Å; R49-I72 HydrophobicContact CG-CG2 4.13Å; A50-I72 WeakPolarHBondContact O-CA 3.44Å; Y51-I72 HydrophobicContact CD1-CG1 4.24Å; Y51-I72 HydrophobicContact CE1-CD1 4.16Å; Y51-I72 HydrophobicContact CE1-CG1 3.96Å; I72-D83 HydrophobicContact CB-CB 4.38Å; I72-D83 PolarHBondContact N-O 3.06Å; I72-D83 VanDerWaalsContact N-O 3.13Å; I72-D83 PolarHBondContact O-N 3Å; I72-D83 VanDerWaalsContact O-N 3.16Å
73	I	63.5	Low	57.4	Low	38 Å²	38	78.2 Å²	78.2	20%	0.195	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.4	175.3	-61.2	173.2	0	0	0	108.1	R49 A50 V52 Q71 V75 P80	R49-I73 CarbonylContact C-O 3.54Å; R49-I73 VanDerWaalsContact CA-O 3.24Å; R49-I73 WeakPolarHBondContact CA-O 3.28Å; A50-I73 HydrophobicContact CB-CB 4.32Å; A50-I73 PolarHBondContact N-O 3.12Å; A50-I73 PolarHBondContact O-N 3.02Å; V52-I73 HydrophobicContact CG2-CD1 3.58Å; V52-I73 HydrophobicContact CG2-CG1 4.36Å; Q71-I73 HydrophobicContact CG-CG1 3.95Å; I73-V75 PolarHBondContact O-N 3.27Å; I73-P80 HydrophobicContact CG2-CB 3.35Å; I73-P80 HydrophobicContact CG2-CG 4.12Å
74	R	66.8	Low	58.1	Low	101 Å²	101	73.9 Å²	73.9	38%	0.381	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	114.7	169.2	-79.4	-171.8	68.6	178.2	5.1	110.8	S48 D76 Q77 P80	S48-R74 WeakPolarHBondContact O-CA 3.34Å; R74-D76 VanDerWaalsContact C-N 3.33Å; R74-D76 WeakPolarHBondContact CB-OD1 3Å; R74-D76 IonicContact CZ-OD1 3.49Å; R74-D76 IonicContact CZ-OD2 3.62Å; R74-D76 IonicContact NE-OD1 2.91Å; R74-D76 PolarHBondContact NE-OD1 3.45Å; R74-D76 IonicContact NE-OD2 3.75Å; R74-D76 IonicContact NH2-OD1 3.32Å; R74-D76 PolarHBondContact NH2-OD1 3.07Å; R74-D76 IonicContact NH2-OD2 2.69Å; R74-D76 PolarHBondContact NH2-OD2 3.35Å; R74-Q77 HydrophobicContact CB-CG 4.47Å; R74-P80 WeakPolarHBondContact O-CB 3.13Å
75	V	66.8	Low	58.7	Low	67 Å²	67	75.9 Å²	75.9	41%	0.406	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-11.5	-178.4	-59.8	0	0	0	0	113.2	D47 S48 I73 Q77	D47-V75 VanDerWaalsContact O-CG2 3.28Å; D47-V75 WeakPolarHBondContact O-CG2 3.45Å; S48-V75 PolarHBondContact O-N 2.92Å; S48-V75 VanDerWaalsContact O-N 3.1Å; I73-V75 PolarHBondContact O-N 3.27Å; V75-Q77 PolarHBondContact O-N 2.88Å
76	D	70.8	Confident	59.4	Low	95 Å²	95	71.8 Å²	71.8	51%	0.508	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	9.4	-179.8	68.5	-34.3	0	0	0	113.9	R74	R74-D76 VanDerWaalsContact C-N 3.33Å; R74-D76 WeakPolarHBondContact CB-OD1 3Å; R74-D76 IonicContact CZ-OD1 3.49Å; R74-D76 IonicContact CZ-OD2 3.62Å; R74-D76 IonicContact NE-OD1 2.91Å; R74-D76 PolarHBondContact NE-OD1 3.45Å; R74-D76 IonicContact NE-OD2 3.75Å; R74-D76 IonicContact NH2-OD1 3.32Å; R74-D76 PolarHBondContact NH2-OD1 3.07Å; R74-D76 IonicContact NH2-OD2 2.69Å; R74-D76 PolarHBondContact NH2-OD2 3.35Å
77	Q	62.7	Low	60	Low	61 Å²	61	69.9 Å²	69.9	29%	0.285	37%	0.369	S	S	.	.	S	Bend	trans	-124.8	140.1	-176.7	-61.4	-174.5	-46.6	0	0	111.2	R74 V75 S79 I81	R74-Q77 HydrophobicContact CB-CG 4.47Å; V75-Q77 PolarHBondContact O-N 2.88Å; Q77-S79 PolarHBondContact O-N 3.11Å; Q77-I81 VanDerWaalsContact OE1-CD1 3.26Å
78	S	66.3	Low	60.5	Low	140 Å²	140	71 Å²	71	98%	0.979	38%	0.376	S	S	*	.	S	Bend	trans	-62.6	-23.1	176.5	54.9	0	0	0	0	113.3
79	S	63	Low	60.7	Low	90 Å²	90	71.3 Å²	71.3	63%	0.629	38%	0.376	S	S	*	.	S	Bend	trans	-129.2	104.4	169.7	-177	0	0	0	0	107.5	Q77 I81	Q77-S79 PolarHBondContact O-N 3.11Å; S79-I81 PolarHBondContact O-N 3.47Å
80	P	59.1	Low	61	Low	63 Å²	63	75.2 Å²	75.2	41%	0.409	40%	0.402	S	S	.	.			trans	-61	124.9	-175.6	20.8	-30.5	0	0	0	110.8	I73 R74 V82	I73-P80 HydrophobicContact CG2-CB 3.35Å; I73-P80 HydrophobicContact CG2-CG 4.12Å; R74-P80 WeakPolarHBondContact O-CB 3.13Å; P80-V82 PolarHBondContact O-N 3.2Å
81	I	59.1	Low	61.1	Low	98 Å²	98	78.2 Å²	78.2	50%	0.503	42%	0.422	S	S	.	.			trans	-72.1	121.7	168.9	-65.4	170.1	0	0	0	107.7	Q77 S79	Q77-I81 VanDerWaalsContact OE1-CD1 3.26Å; S79-I81 PolarHBondContact O-N 3.47Å
82	V	57.7	Low	60.7	Low	75 Å²	75	82.3 Å²	82.3	46%	0.455	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	107.2	174.6	165.4	0	0	0	0	108.3	Q71 P80	Q71-V82 HydrophobicContact CG-CG1 3.87Å; Q71-V82 HydrophobicContact CG-CG2 4.48Å; P80-V82 PolarHBondContact O-N 3.2Å
83	D	61.8	Low	60.5	Low	59 Å²	59	89.2 Å²	89.2	32%	0.316	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	102.5	168.3	-169	9.1	0	0	0	108.4	I72 K85	I72-D83 HydrophobicContact CB-CB 4.38Å; I72-D83 PolarHBondContact N-O 3.06Å; I72-D83 VanDerWaalsContact N-O 3.13Å; I72-D83 PolarHBondContact O-N 3Å; I72-D83 VanDerWaalsContact O-N 3.16Å; D83-K85 PolarHBondContact O-N 3.33Å; D83-K85 WeakPolarHBondContact OD2-CD 3.32Å; D83-K85 WeakPolarHBondContact OD2-CE 3.45Å; D83-K85 IonicContact OD2-NZ 2.69Å; D83-K85 PolarHBondContact OD2-NZ 3.5Å
84	C	58.1	Low	59.7	Low	40 Å²	40	94.3 Å²	94.3	27%	0.27	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	102.5	172.4	-87.1	0	0	0	0	109.5	C31	C31-C84 HydrophobicContact CB-CB 4.27Å; C31-C84 WeakPolarHBondContact CB-SG 3.12Å; C31-C84 WeakPolarHBondContact SG-CB 3.09Å; C31-C84 CovalentContact SG-SG 2.04Å; C31-C84 PolarHBondContact SG-SG 3Å
85	K	58.2	Low	58.5	Low	97 Å²	97	98 Å²	98	42%	0.422	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.5	136.5	172	-76.8	177.1	174.4	152.7	0	110.8	S70 D83 E87	S70-K85 PolarHBondContact OG-O 3.27Å; D83-K85 PolarHBondContact O-N 3.33Å; D83-K85 WeakPolarHBondContact OD2-CD 3.32Å; D83-K85 WeakPolarHBondContact OD2-CE 3.45Å; D83-K85 IonicContact OD2-NZ 2.69Å; D83-K85 PolarHBondContact OD2-NZ 3.5Å; K85-E87 HydrophobicContact CB-CG 4.27Å; K85-E87 PolarHBondContact O-N 2.94Å
86	F	57.8	Low	58.1	Low	84 Å²	84	99.6 Å²	99.6	37%	0.368	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85	94.2	174.7	-68.5	-105.7	0	0	0	107.2	C27 V30 Y69	C27-F86 HydrophobicContact CB-CD2 4.37Å; C27-F86 HydrophobicContact CB-CE2 3.45Å; C27-F86 VanDerWaalsContact CB-CE2 3.45Å; C27-F86 HydrophobicContact CB-CZ 3.95Å; C27-F86 WeakPolarHBondContact SG-CE2 3.33Å; C27-F86 VanDerWaalsContact SG-CZ 3.6Å; V30-F86 HydrophobicContact CB-CZ 4.43Å; V30-F86 HydrophobicContact CG1-CZ 4.42Å; Y69-F86 HydrophobicContact CD1-CD1 4.39Å; Y69-F86 AromaticContact CD1-CE1 3.95Å; Y69-F86 HydrophobicContact CD1-CE1 3.95Å; Y69-F86 HydrophobicContact CD1-CZ 4.45Å; Y69-F86 HydrophobicContact CE1-CD1 4.2Å; Y69-F86 AromaticContact CE1-CE1 3.53Å; Y69-F86 HydrophobicContact CE1-CE1 3.53Å; Y69-F86 HydrophobicContact CE1-CZ 4.22Å
87	E	55.5	Low	57.4	Low	87 Å²	87	99.8 Å²	99.8	41%	0.407	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.5	134.1	176.7	-69.5	-177.2	176.8	0	0	110.2	K85 F89	K85-E87 HydrophobicContact CB-CG 4.27Å; K85-E87 PolarHBondContact O-N 2.94Å; E87-F89 PolarHBondContact O-N 3.38Å
88	K	57.8	Low	57.1	Low	137 Å²	137	101.9 Å²	101.9	60%	0.596	59%	0.588	S	S	*	*			trans	-69.8	112.3	167.7	-177.4	179.4	-177.6	-176.2	0	107.1	V90	K88-V90 PolarHBondContact O-N 3.28Å; K88-V90 VanDerWaalsContact O-N 3.17Å
89	F	55.9	Low	56.6	Low	90 Å²	90	99.7 Å²	99.7	40%	0.395	57%	0.565	S	S	.	*			trans	-64.5	118.3	170.8	-172.6	-105	0	0	0	108.6	V43 H68 E87 P91	V43-F89 HydrophobicContact CG1-CE2 4.02Å; V43-F89 HydrophobicContact CG1-CZ 4.07Å; H68-F89 HydrophobicContact CB-CB 3.99Å; H68-F89 WeakPolarHBondContact CD2-CB 3.34Å; E87-F89 PolarHBondContact O-N 3.38Å; F89-P91 HydrophobicContact CD1-CG 4.03Å; F89-P91 HydrophobicContact CE1-CB 3.96Å; F89-P91 HydrophobicContact CE1-CG 3.95Å
90	V	62.3	Low	56.2	Low	107 Å²	107	100.3 Å²	100.3	65%	0.648	56%	0.561	S	S	*	*			trans	-100.5	108.7	166.1	-177	0	0	0	0	104.9	K88	K88-V90 PolarHBondContact O-N 3.28Å; K88-V90 VanDerWaalsContact O-N 3.17Å
91	P	55	Low	56	Low	81 Å²	81	102.8 Å²	102.8	53%	0.526	57%	0.571	S	S	.	*			trans	-55.1	143.4	172	-15.2	26.5	0	0	0	108.6	F89 D93	F89-P91 HydrophobicContact CD1-CG 4.03Å; F89-P91 HydrophobicContact CE1-CB 3.96Å; F89-P91 HydrophobicContact CE1-CG 3.95Å; P91-D93 PolarHBondContact O-N 3.09Å
92	P	54.1	Low	55.7	Low	105 Å²	105	103.1 Å²	103.1	68%	0.682	58%	0.576	S	S	*	*			trans	-55.4	132.8	171.3	23.4	-31.2	0	0	0	108.7	V94	P92-V94 PolarHBondContact O-N 3.41Å
93	D	58	Low	55.6	Low	158 Å²	158	105.3 Å²	105.3	85%	0.845	59%	0.585	S	S	*	*			trans	-52.7	115.2	173.7	-81.5	-38.8	0	0	0	108.3	P91 S95	P91-D93 PolarHBondContact O-N 3.09Å; D93-S95 VanDerWaalsContact C-N 3.33Å; D93-S95 PolarHBondContact O-N 3.25Å
94	V	47.7	Very low	55.1	Low	146 Å²	146	109.2 Å²	109.2	89%	0.885	61%	0.607	S	S	*	*			trans	-75.7	96.1	168	-171.4	0	0	0	0	105.7	P92	P92-V94 PolarHBondContact O-N 3.41Å
95	S	40.6	Very low	54.8	Low	178 Å²	178	115.5 Å²	115.5	100%	1.245	64%	0.638	S	S	*	*			trans	-57.8	0	167.2	59.8	0	0	0	0	111.7	D93	D93-S95 VanDerWaalsContact C-N 3.33Å; D93-S95 PolarHBondContact O-N 3.25Å

Retrieved 95 of 95 residues in 88.2 ms (Link to these results)

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